diff --git a/data/MatPL/HfO2/pwdata/init_011_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_011_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..99eb531f0266baa8e5d865da147c0fd325615c82 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:330047bb0216a0c764abc7670e3968e68b1b5ce34302ab0d3199b75f0fd07981 +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_011_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..cdc4bbd97b3d2daf63d65b506fbb0cac66caa2d6 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f1ad7b6033edde754c6dae2e2897939b626462ea8c552dc94af90e239471738 +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_011_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..2af6b2659070e966d439a1307c62311009644720 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99692b0eda490d7e54ef7bc826e8759c1e668b9c5a85f157ee6e73b9b6265e78 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_011_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_011_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..81a42f18aa1c4124be870cd1d1a758b6d3937124 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3fec72f5cfebced433546a99a65bfcfe38bc6e3493d29622eaa1c7b90811569c +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_011_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..ae9a4d702bc31cbf647517e3ae78d550b6ad40cd --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3deb014b20243c3c0eb3c022c21958b557db444f5511e51e5146839dfff869e6 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_011_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_011_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..204dac74039055f26f57322505f5271a87f4410a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0c4d2e9a69c8ab6640484c24eef6c60934e0333e2d8b3183636b4559e8e1980c +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_011_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..a550e314c3e0ae0cf74b906196682d51d47b3832 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb5405835a199e25b7fee4ad770e64c447446de437b204abc27ac2387a663893 +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_011_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..619abe55e6773a1aec446979b637ef47341af192 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:41d8c801aa31c83e6e747bad322a0d13939c4058bd491acf62df0caab8124403 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_011_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_011_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..571a38d3c073777e7afb117728c861e30ca59c38 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:150f3168049745ef8ccb170f5be7c8366c638c4884b70bf9732e16612870d951 +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_011_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_011_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..89a6fec7aa06b1bfaed605dc1924a2ad4271559a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_011_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e334efb599cc93e30b44bea7e73a7bf4883c3e89c51b7469f0e2fa5853a49f29 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_012_50/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_012_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..924ed855079a47fdb31920ca00d0cc1bb2a23bb5 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:814f47c70b31a1c45669d73813040a9b994d0aff0621e2025359ee06e1fcb2f8 +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_012_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..20729519192aa213261c7bbe61ec3b55e07070cb --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d5bedcf4a5e1dcfa706285b9e0ab20a0b6844e28e12d0521c33c4b12e4eb5b0 +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_012_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..a322ad2dc6fb18ac787a1c0b57a3faaa0670406f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8bddaeafdcaed1c541d54915d52fb4a34a05407ab418bd788192e0ce3fa782d +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_012_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_012_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..c389ab2f2168644287cf5ea40bad868cf72e1f2f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2bb84578bcdf5ba8674f1cce0f5e77622b849bf2e1d54459c44b0a1db963a7e1 +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_012_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..580c5a2876c7933a6924cf45136f77f3cd898274 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:be05e4f8bce9da1ca765e3e3124d2e4d6f209a6efa41f6ff612ef3b076e3518b +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_012_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_012_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..207be96f05f474782cde868f57fce9d195547ebe --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19ddaff2c3a5292c5cf2b44a1c25c29fb5f96ce67c485096b2093887a10f6e1a +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_012_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..7440f9393c6716532dc3ab6ee3241eee9bf8253a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:573abee05de6afc892a3438fad16da52501e74c5bf73b1a1d5cac1da2a6ce793 +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_012_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..7cb600a6f578aba4cfda22be3838f2cf07dd0e08 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:519f63d41e8d42dadb56b493e31c1508846c32f32046293b8f75648a9dc7e880 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_012_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_012_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..eff8c9a9f8f2b73486d73f4da021883c557a1ecc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:238bff586a89526801ab8722403d7d84dfebae8de76c3df9becc7a3b273fe4a3 +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_012_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_012_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..1b875a707fbc9dfecbb739417ccf160527a23bed --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_012_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5411a5432b627adf69d2d61fdca556aed6cd0447171963c88f0fd6fba269de6 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_013_50/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_013_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..8533c2bdf0f9be12059754614a80c61ca61d7eda --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5dc84ce2a6db417fda402484a84e40dac977e953aa22b17e3d52c13b2bead180 +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_013_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..18a3392f7dcbb73e8ddc9e47f8772461dc157f49 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f02c1a5c9a6d348c3415160958ec694589d7910849c8888ebf7ce712d3be0c7d +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_013_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..469aad696b5a1f38709f3ee0bb5036b8278540c9 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6021f749b9812877389d04fa9d25c494b36cad15d7ffdcb469e9047387e7ae1 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_013_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_013_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..255ef42eeb93d1e08616f623802cf6391eae54a1 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc1c33d09cc1dc53adc331bdfa747e70a38a380137af7bb564a8d471fcd43276 +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_013_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..dca899202aec926a8bf2031ab0bb3f328bc4c45f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d10e4ed19950c96fb05307d88fc1e80d64097a4bce18f5f512307370bc2b76c3 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_013_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_013_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..688abe8aaa97835edd2dd4092dff462de309c674 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7aad4ca861f4b836b9e8283821b3ef911df347278bf14abcf831ea4d2b2422d4 +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_013_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..ba2e2f14d1d7084d1943ae38af4a9133bfe2cb61 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f7b55eeea2426e1ad2eb9f0cb89e96c10fa018ac7bc36c4a213df0ea0749990 +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_013_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..0820fee4b453c75150ca5502850927207ab9000e --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b724cb8d62e17c39990711ca26be755588065aa00795c1bffdad2e9810de901 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_013_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_013_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..5ee3420b7b660457ac80eb4e4de00f344bfaad38 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b070e763f79dd6b1d947180182da7365445c254a2d28ea6f9991cbfb0d3e5d9 +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_013_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_013_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..31426039ec27f5bccaec20c03e90bf7c0214a62c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_013_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02b4945df33e67672e336da0f36fa4c4ae35cefaf915363605d2338940e20b00 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_014_50/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_014_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..0597e3f7c0baf13c4fb1ef2478cc64a819e5fc0b --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:137bb612132b3c4d7a99b1fa2210747238edb8ed1bcdbacedfac12fc3e6313ce +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_014_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..1c3d5ae334fbc0c8ccf684618c1fb15524da976a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:64a53c225b5156ec25bc17d141a7919e7bddec57e77f4119a86175f5d0b09358 +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_014_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..22a9dc8facf8b16edba006d68ceaa3ace5a7334b --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fc7d97431a939639c0e18cc5242d20106d4d45d4a0953c9d5fdd53cac8d7bb3 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_014_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_014_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0b7c389087b7bf3e19e7e5f2f91f43919250b4d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4740da41d70c32a80f6efe6c0cd56af4385d76609c5572eed1b07eecb87e9b04 +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_014_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..b8772d338f03df1653a01dd689ca9973ece1b4af --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a72aa3efa58ee8b916970f8d17dad18dbc6eac050ac383feae434ee50a3c4ee7 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_014_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_014_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..a3264a692bef4bd439749705c688533f01b51fe3 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5c38b8512d63793906b7977cd658c57a604327445cce3be21547776f70eb7ce +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_014_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..51ec727a2ccaaba562e12cadb30e4c9105565c51 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5246cbb049300b4795c4201e81abf9bd1a0e449bf4cf45a1e73a0e0489478a60 +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_014_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..f46a8265dc7b3ee8f7b95941d906d21caa874369 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:317ffe1e296303034d8b481469beac11e0b48994c3835b7a2eff73bd580e4f36 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_014_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_014_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..323307049dfdb6566fefc85b797dcf1ca1a7e530 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e2919181cb5d266ea8fafed43f30e6b2e34db7171e6f035e87deab04d2f3fd52 +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_014_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_014_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..af6c8c9053660a1eff83cd9dee60a815d650352f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_014_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a229cc7970584c111ab9035b1ecb7f0ef6f2bd78729d5fc688428d6956f45ab +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_015_30/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/train/ei.npy b/data/MatPL/HfO2/pwdata/init_015_30/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..10ca24fe4f8f628c2884a27ea21b59c14bddbaed --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c5d7521ed63830f47201c709e1dbaa950ab21298733be0dc7658bd16f224bdcf +size 18560 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/train/energies.npy b/data/MatPL/HfO2/pwdata/init_015_30/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..e5698c6957e2c680be563ef2212a55a9f5afdbf9 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f1bdbcf5286d3f6ebde5d0a49fe15639f4463158fce8ff8d1f0a250d0ed55ca2 +size 320 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/train/forces.npy b/data/MatPL/HfO2/pwdata/init_015_30/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..1d3707cabf8682b9e63e6db18b46c702755c66d1 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a926d446d8ec6e1b3025fd76812c05b6e3dcedc8c2c773cb71fd5fa949936cfd +size 55424 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_015_30/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_015_30/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..e886ba9e6978d6a0d3e27bb53ea09ba88439395d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:044269ef5eac24018e79607d21c2b7843cab70a11e050a28e1f32827dbd44735 +size 1856 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/train/position.npy b/data/MatPL/HfO2/pwdata/init_015_30/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..9e1ef99d2309c8bb609c9e84c3d372102695d74b --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:72ed6dd5ebc76b65f18ddc0f7966d0b0da109b4f1973c23b1e34bebbac345a95 +size 55424 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_015_30/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_015_30/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..a68dbc090425fe921641fe920b268c807f9be20d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4b60e4bbbd45897f674e5891d03a130dce0bfeb3604555b275b6d44f40fced0 +size 4736 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_015_30/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..ee09ae454f802cc3ee234dfc22eb7151aa4bc56f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:862e7f58154055d243d685bb4b2c5d55dd813745918f8e5d0584e48eb5946e8f +size 176 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_015_30/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..6d5daae56f835293ff2b549d589108e5c7000692 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:900284abb43038a8a5f806e8d0629c1d8ce29b1f1a0ceb2f286cfff1576cbbeb +size 13952 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_015_30/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_015_30/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..998c5337de5ef2e00ab20c413740f2abdaec4a04 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ae9c0b737e4b52d2de0076fe24e4d5cfc7898ef4c2aeb31cd40012a4180e165 +size 560 diff --git a/data/MatPL/HfO2/pwdata/init_015_30/valid/position.npy b/data/MatPL/HfO2/pwdata/init_015_30/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..157888c9014d27d0b1ab994ebe70253dd2f4707d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_015_30/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e64760fe89e941f92abdcb699cc9e7da44eb475c589a42abbb1278a83552d789 +size 13952 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_016_50/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_016_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..d22eaf630d600146652aceebf7a5d8ec4c6305be --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd9196f2e2500156b5c3a3ce78358115eafb942f667e39ca2b7384d3c36c90f3 +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_016_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..147f563e5da9b2cedf7aec88c66c60642d38bf9a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:354132a4f04c4870369bce08fe754ab1760b75029bb62d098ef8abdcc2e878b4 +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_016_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..7c3691c670aad5782fa1f93987a774ed12f29d77 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4a7cda49d505c2996bdbfea21fac772eebbf1018a5476403ddf08a704e57042 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_016_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_016_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..8e8cae601fdc5bfb9be931f90f8ca78a57791c0e --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0280bdc97241e48789ba1348af0d3008919c55ac887653407d4cfcfa1dfe4193 +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_016_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..57f643061e1b7e5b7335557d9e73f3ea13a2dea1 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a9688f6d93da11ad4ae299c054abcc4c5b403f30186696d5a7d4b6963a973a9 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_016_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_016_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..07f702b2ed29b0ac2c434aa3035e7709707e1802 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b97b4d71f8dc067b38c2d5326d4cc5300862129d2d88f218aa39635ebc9dbd20 +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_016_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..a7f88913728998a22a2c5421b37175ae80c49e45 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85a9a41d043357be4d4724c68800c6b2b7035899d06b5ffd85cb52e557e09a79 +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_016_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..5329f2cc9eea4af546e40d80f47be904e95f3fca --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4270a23d8b733f8306682517267b14337025cfe721ded09feb1c5dfecd7a400e +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_016_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_016_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..236613d7f0f0fd3776c6a4475239a1701c58137f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ede4b7f9d335eff1c5f8d86f905bed274e5d8f852875754c4605847d03e9e4dd +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_016_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_016_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..8dd1c234cd014c6504d702e1839bf86968304e43 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_016_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0770fef50e2853f94f075fd41f53e20a5d36cc1c6b8808f3c04780f0f59bf6e1 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_017_50/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_017_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..8029bda2ba92e89de31ae61e111f7971cbe7f71b --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8f2e0de2d698a9ecc25d6856ff1f03ea96ad4601844f08108d809aab9f005805 +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_017_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..b23f2496565926c76a54c8e0426a7a9040461398 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7991507c38596dae10e3c8a0b975883a885b597fd8180f02738fcfbb6a156661 +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_017_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..1f28157c01063cabea2df80901b39a2f783ef69f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4dfb12af7ba184d2f98602b70b023858f8a68fb06d4f341e88235dc94e30f95 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_017_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_017_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..31dd26b63f018fcc082ae928f7acb3f6e6ccd2c8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af0e74458be58ca609d954a1fc2d520c718544be663d3103ecb55d3f9029d3c3 +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_017_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..54e54851212cac8081d9d3483286af1151852cd8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c32e5e2e56230d16a329df372e479aedca3eade2938bd18d6a30127d0be2d434 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_017_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_017_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..60429d63601d151d7cdab1e1b4c3dafd2421ad8e --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:999264dad6593f0a35cd06c2c11f65b94e86dc2a18e131d54b0906e435be54a7 +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_017_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..4d0344fb09c4046c210648fbdb329c063169b170 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6c2ad604de315aeac32cbc884a4af418397200daf4e14b38135eb9340a8ff8b6 +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_017_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..1a34fee15f546adde5b3e8659d1c4e05f9e2b7cb --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db15dfe2221633365d4964e398243c9e517b5a3e236d71b90209063d8330426f +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_017_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_017_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..3f60a657ac7c938f238d658e8b76adb76d19fc0b --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1c7b0dd816792813b56e4f4c0c9a28a0fdf8449a73ba623234d400916f787fe +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_017_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_017_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..2854655bc75fd34fe4b126d86c3e6740507137f8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_017_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8918f95d92a11342fe45dacc1724a0ab412feb78cfa440430d34c1fc8c6fb29 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_018_50/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_018_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..013f7e29517777e5f49c050c1cd2046c7cc97843 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:37dde4744b85f332d929f92b3694fe560f3da2b9772847e3a3b1a53d761c45a8 +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_018_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..936488e0449d0cb0947c658c37693fbc852901a8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:394017d9093eabede60d5af23de30c89ee479c712742facec454ef3728f93de5 +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_018_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..64a820423f8c07a0e5a2472dfeab5f880c5a37c8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:12e44d2e894921570744c191c0dcb34360aa9301944536771b046be624602d42 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_018_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_018_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..52717edb47da2c133a38be50d886a4d62f070089 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15c154df635fed2d33807e8d832b9328e1d4dada6ece93683d82006506cdef9c +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_018_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..a8d84cabfba26ea33aa0c47afed773c48567a419 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:715b236ba3fbd05d0155e4238693e479ffc3849b18b3341099e352ea69db8f66 +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_018_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_018_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..02accdbdd2c74c0a3233fb1485a8ed1a9dc9cfdc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3e51152fa7c381034bc40348d9712fb990800306640f4b9390dec31b94f38bf +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_018_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..01a69d7e38f2af0507108feadf49e2b648cdd35d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b9a4d3a8c73e1982807c5d442cdd33c3734598d499d15a075003a506d4e7747 +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_018_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..74d99e448cff80969e06e2da28a9292c4b003851 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8f5afef6ede0d6b410adfec1925338dee365f1655e7bcde7c602b42566c4e92 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_018_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_018_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..e14f6bc76153335a20bd2e6ba5f1080b4c17c31c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b26384c934db1b5acb8101ab64e6708063824171799605493cba9d4db78724f8 +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_018_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_018_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..45697e96e8e2cae8a26f34283f8f33f6a5808fbf --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_018_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:809809d55c8db073d646588797c128afdf6e5061118837e247ff1417d1231e9f +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_019_50/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/train/ei.npy b/data/MatPL/HfO2/pwdata/init_019_50/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..9d214d532148e3054c423cc9f934d236206b5aa4 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed06011a9667bcb1f9fef59869c667bfba7629806c621ca5b28e5a4eb79e0702 +size 30848 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/train/energies.npy b/data/MatPL/HfO2/pwdata/init_019_50/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..ffe9e9728fbc0854e3414efcdb501d8863e6e38d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:70645ed7bede7b57a3089df42336b08ce89aa40e8590075bd6ae266d3e872509 +size 448 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/train/forces.npy b/data/MatPL/HfO2/pwdata/init_019_50/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..0f750d76f9e054b17c5341e6f8a9add925888833 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:945d7ec5ec435370e75e8b4df0391a25e28e549c885a92304cf3d68a57ee498b +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_019_50/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_019_50/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..64bd60c042fe3eaa61507fed6ef67343bbb2f014 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c3ab3ea37085b046ac5ebc87596aaafc1d9a1fb172e6b993c909d0ef442ffbc0 +size 3008 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/train/position.npy b/data/MatPL/HfO2/pwdata/init_019_50/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..54d30a7369b4d896176549f063a96ccfc5462819 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:801e22cf6b370297d2e1084c9d917f303d90a48cc5b21b8f6655d550a5942bcb +size 92288 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_019_50/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_019_50/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..a15b40ff9de2f993c560680472c7ab701a221009 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f48c44976c60011b39fa2679e9f1ddc58d8802975be14592c4f138cd87ac4cd +size 7808 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_019_50/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..5b14e89e1417f2643b013250a4913015d7e61f6c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e698622995ffa4af3fcd394b35f59d1ec984b0681520ad66fee29bd591ae2bc +size 208 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_019_50/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..c1a7e212f877ae62f8ce3c959d0519c171bec8df --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd500b8cf4588c8489c050977640503851b065c952e0eb744a0d865862d4d991 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_019_50/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_019_50/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..ddc1c5702cb3fdcaccfdaf67bc65d99d963f94fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6428d1ef3c9ea327263e3caa59a3347ca2f12c320bb74f42cb525f395354cc93 +size 848 diff --git a/data/MatPL/HfO2/pwdata/init_019_50/valid/position.npy b/data/MatPL/HfO2/pwdata/init_019_50/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..a2e503801f806cad98cb5f32e269fa9ee1a5af16 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_019_50/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a683acc65887c0844445debf83e2823e35445f610e825a03c0bc245c36c77d63 +size 23168 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_020_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_020_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..4102039e385f0c11973976ff2215c9deb7e60310 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:36825ada7a2489162ed6558d2ace94d3e74cb4c4365a0a69ccb39fd1a9606ed1 +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_020_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..249e192a5fbdf82c997c1d6b7912b9ecd6579eaf --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7516001d25fc8c13101f706eb63642cd39d91bb2b3a953b7005362350ac006fc +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_020_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..181b12cd6990b75c258b80b0aeaecf3ecc079d38 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1109c276bbc7a0a30c9300f7f410899ac2cb26be55fe21dc5750f00612921bff +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_020_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_020_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..552081d47575d2aa5df3455fafecaff4724597f3 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ad20b21d91f4200acd820cfb61de8293b7aa8e2729cec4caca80ee6995a01c5 +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_020_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..248ed1c7950d5947caef3c31f1fbd1b78cce04c8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cdca722a6bd886ff0340cb8c62ca3400327a68cd2853b0c1c2e759e973f3dad9 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_020_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_020_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..76742786d4058c1614e413265ffde439fe7a48f3 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9dc9e27e0485280158ff4273dbaaaa31b2ea55d1f0b3718e4f52606c6b328919 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_020_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..d4e3c55dd2acce48f3ba1f07713485736e818ddd --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:74a93b0151e84febfd5af8c0b579d5444e3282b8cdc5979e2da056772080457a +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_020_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..2cf347064f4f5ce162c76b572173c6039f6f7a03 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a6b43388ca71d85acbc3d90e5b9cba6f72aa331754ee361ebb33bb6ef63f3a0 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_020_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_020_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..36fb8bf3da453f321088a0ab48bbc4aa0bae2ffe --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:caf88af87a9b30dc4715e107caf27863d47099a62b262eec70f80692c52cbb26 +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_020_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_020_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..3e2bbd62c113ec6ed526b82f1c623791b9eaed7c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_020_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e3e583d82550fe6ec06a1fcfaee01933caf80dc455e9b7a94b1ee835f0ecc29 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_021_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_021_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..289ac99bf7892b69007343fe188c574345656e9c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe19265a9620b640e16c8199ea01d935ab00fc3f4a83e7aeab4c109ed1f61c67 +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_021_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..76a01ebec9e155abf4872b4f86a9936e617d7331 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99e7e2cd6d6357628faa26ff89116d882d776e4530c3617dca12f9da20f410f7 +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_021_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..0ef0382a704ff38827fe3cae140ab0220b790ec0 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8362ad727c6a548e0ac083ebe96e6ab22a8046553365e6dde2d8770158413ac4 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_021_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_021_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..9e56138eeef1af7115164aff5d57f20a5b592e82 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a033be83d340bad23972a43b9ea2a7f1439295010fbca171de084f8fa6159bf4 +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_021_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..1f09b8029e5f05d2ce391b07209b84c0a2bd188d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e4f6ff3598b36970087c7249aefd9d5354dc4c1ee2e42f14bafb9fc38bca4d9 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_021_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_021_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..8bf452355db43c513011d114947a4f0759b3abd4 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:97dd7255108dc5c79ab6fc177fa54dad3155d64011acf9771389c4d5262009e4 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_021_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..966bbad2f8a945af4b38d8a5cd80ed4c3b32dede --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5733ef49f1a01131f387f56dd79b9864ce3dda2041047ca8d747e233e3d29b69 +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_021_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..69a875377afe6dc2c614bdaf1122ae0d8b2e8772 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6007e2be1408ddcbd11a175f320a1f02801108a186162c6e3228bf5c2d2b7b8a +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_021_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_021_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..baee2c1bd6bf2dc2230f6081cce68251a6d691da --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:507a024b556ac72df5483e98832137bc2218d7f62bfec83aee37f49a17adf418 +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_021_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_021_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..76d98e4bdda762d3515be4ca85133fd2585dce9f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_021_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a0d47f129f775cfa6beb96c0b2f0a5049e908708ce8d4daf0ed20b0bf26c8ae7 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_022_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_022_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..11401c42c5e9d76ebf225384e2e6cc675b07de97 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f646960a32f162f227380f5c845de8327dc061475f388b124a64f9876f9548c9 +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_022_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..d89dcf891856ea3ca2800dcd023ccb5023b663c7 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4c9666a28c56f3c03df1631b3ec3af15c4c2480d04acbdebc5421d6b5e3f906 +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_022_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..2a5d63cf84b67de8bb35a4332dc74a13550dc763 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:46621657b9a5a2f32b93f6ddb214bea2b1c2891d60f8488689d6ea3bdc659bfc +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_022_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_022_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..7263d11dc09b4f76d5fe69013a55b687658fd633 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b281f0fefa3a44c2db57f4c48c9a46eec2016bee21700c056a5ef35baa4346d8 +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_022_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..e9caabff6ab1666521a1ae2bb3a2bda9e13f7d1f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5d690223204caca627667be25df428a941d78c29f31f46e3e9ad706983ae6f4 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_022_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_022_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..31039719f2250728771e2abfc346471e901d0d9c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:69205438fe139d78d9aa23ae3b2e6ff71e329881a179fa927425b239fdc5a104 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_022_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..1dcc3d966a3eb00081e7299084c83fea9a42f6e8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:daaeaa414c1b2775aabd01c383c419a1aa767a000c050ef212ab590234ed04bc +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_022_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..8663a391a37c18f4a2e6e79c4ba8f2af74b41e51 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa26f78cbaec805568bc93c0460ea7563007bc7677b5280613bdbb8a9e6a8d6f +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_022_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_022_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..d083e0cda622f570cb0bc89f92cd8287e239b80f --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c87f888d84bd8395150bf0947aa9cb7768b65ab1f1820324d31590d00aef91a5 +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_022_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_022_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..70856aa93d827c554220229c86e321cd7c9ed5f7 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_022_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:37bf95cb4e6915946c636572bce9b975f4158becb37b5339757ecd26fe1951ea +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_023_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_023_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..09e9d4332bf9ee2c5e60fbb94a2a1552d6613413 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee23ae9cfd8d72d64d5267986610e6410a8057b7c4375568a43dfa4abc9ae89f +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_023_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..c5f638826ff4ee30e77c5f9b32d71f63c3a7653c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ceacf4b2446aff725d828dcee5511e0a401d200a07dcafe44d30f3b30c238c1a +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_023_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..899c8556ab975468c073f318f11ba449575351ee --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:170da5626038929bf6aed020e173e0cc2a84e2b177d723b96b17c8eb48c5b506 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_023_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_023_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..13769e921b2855e62dc191e0f0e6c84fd239bdb0 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2712f63eec39c441891d5cdfdb2c6c88824de4efce9868127d6f3b09474336f8 +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_023_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..607606b7c28262473e73ab4cf89f9b6fc2d518e5 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b97891cea78c44482e886886301aa1646ec579bcaa10fcb18baa34684552677 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_023_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_023_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..c49b9b05585384faeb3e4f246b3fdb77b24223c4 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:869f9d98e65168d971383a0bb0ce1a00d0f2d6db5a09eb999dc6189def010a03 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_023_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..d4a65c689714540cf7263d12351bed8270c1615e --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:51efae4ace13b687b9c3c1e63f51b2921de2ce9136ac3aa1b8a4692523000f59 +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_023_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..61b56a180e7ca5fabddb1cb6e90cba5f0255abf9 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:055ebfe285fe215e2754cd5410508477aafbdc141863f4d7fb16273dc0885143 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_023_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_023_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..403b22801569b5f572613a69ac0b2bb653d94ae7 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4aec9ece95cf9ae7c6162f5e599614ae67bee4396529fdc31e398a08683bb400 +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_023_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_023_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..723c91cdfd52b98212dfd6ec76e2733c892b4356 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_023_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31965281b6d3f8537c3ab8d01a4abe9d57d28151051e078a544fac5e9353c9f5 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_024_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_024_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..16b018893d3f0c61811c849aea94bbe7c09a45f3 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db19158a5995aa39607a5bb6c2f7962c03dca40e61e6dfdcfca250c740174f65 +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_024_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..77fcae024421e752ad5f0734de5617ca179c8374 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:970f686796f183be93a910557e912bf11432ad2050182156ff771783058bd6d1 +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_024_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..58bf5a1b10ac9fcb86ab397e2192e84a227c7f81 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4071ce9c52912db421f9f8a72b553cf950c498b2f1c0b1699fef7043d06e3834 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_024_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_024_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..65df00a653cd852ee114af1f35ea96a987b165fa --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ec9420888fc3adb9846570ea1b864fd43d5f63248217ba148f18ba82a898b11 +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_024_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..d24d0d8978228af293e70f46087488928f34c919 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa940309ff15dbcc585ca3f366deeef3ba748f6b02300bc3d9d949e80c812a79 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_024_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_024_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..5e85012f9139a61a9f9e2b17310823df0c70f559 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0533ac68c36a6e3a1ff13d741a4dda697952b9413b51975bbd6b8301844922d2 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_024_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..369ae3eca427dc711474e32fc2efd80bac3ab26a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f07271d91f5cad4193686423330e610023bdb28809d2c0fa4e41914c5d581b4e +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_024_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..95bfdf1b9f4371c8eb24cb23795f5f1d050e6acb --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6a32e6efa25ff7b84bad6c93d2a7602feb5af0cff11500d3274a9789adac2861 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_024_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_024_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..da4069378f94a37a89f4688561c89c257d287091 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e332743d66a71d5b3da81743d3bd409a1edafac4d883cf4619b1bacc777d29e +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_024_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_024_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..a8e4bf60c9b186d8d63e4930466b0e3240faa30b --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_024_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7ebcb2f0f2cae541b869250cfbb034844c1f53ecde4221523ce58372a351b15 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_025_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_025_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..f1c2e2b789d8f418c3f3dd8f8411586d18c7e97c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82b950fdabffd59aadb3f1d73cdccad45f60732b10ccf3526d4c5ee003ac8099 +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_025_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..ab4f0c41470496aef90e4cb1cf3fbb1b78136e65 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1fcaec2c2ff8944458194dd32a21ec8154f0a6b6486ca2fc1f8b40fa3c86443 +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_025_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..d59ed1f592de55685a06f4591bbf9a8d2390ba4a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93332208d4e65907407e460d120b61460d9fc5698ea6cbff3be17cf084008d8a +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_025_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_025_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..7e8891e53a131a903724d62a58dfe09da4be4223 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4178d933d3de67d89f48b854650de2e1babfb251eb50d778573457746dd59e7e +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_025_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..e7094383dd7a4a15671c045bebc979a92e9f1922 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d602599f338cee293e4363e89958e47124e9567808d592e1d5edbb69f8263b4 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_025_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_025_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..ce1dbe392fafc9c3670b3b9e9cedc8a2969f81c3 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5208cd124cd5c88c3c848550adeb9c89014ce78dc684d42aa63a65eaa4dca142 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_025_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..a050cfa2166baa7e1553b4174314717cdff1398c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c87f452722935d903a8cac8708480446f023980d1ba2d7568db3af20fae1b2d3 +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_025_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..e6641af6c1460e12e0ae40bdd3f7c2719eebfd9a --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3ab78cad27c07a9f767ca6f221351bf8ed3fdef57f997fbc016c39ccfa2f02b +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_025_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_025_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..c5e50704edff07b9fe997d1c04c7bfdff3649178 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56a1ef88304178634dfcf1614de4d7759c0fd8dbd9495f65dc45663aff9836b3 +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_025_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_025_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..4d29a0ca970e1223ae8b345730a74e71a4c9a3d5 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_025_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f8023f5aa7a4600565f756f47c396eae0f5c227254ec22b03fff343c0742901 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_026_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_026_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..e3bb8275d61c87210662d097f7ead73e56686c17 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81c2a3ef275c680262a237aada996f465fadcbb3a5d43e7e4f0feba304b9884d +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_026_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..9384e2526a3e26c16d763232b92e83680ca296f5 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:89efb80e547dcad961f3d742c13764fcad322907536d508a297f3d03f59afbe5 +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_026_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..b43380da7cf2184160be1b9b3937f4451664f5f4 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4a4f735f81e76789023553131a9c82307ebe57420c9b0175fae12b963ca7447b +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_026_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_026_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..7c9c7ddad03e82ec03b4032d41dae1be56dbf079 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8298a916987122298dd33cd39aef54b2819f0e92b6fb8bff850db0115e235dd +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_026_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..ae062820efd3d28ad961ad62588e8625643dcd72 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0cd17183f3a96d7ebab9ea9e38b360143d4c8dcefdef883b1e58f2aa6106faf2 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_026_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_026_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..bc844a9f8297c5e0e6f68ae3cd20f69b8ae660dd --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:730f7f2e5ea1ed9d30028e912b26aa7a49c1758449f0f2f0f526d141a2b94d52 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_026_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..ff9eac55f585dd6fa67694b80f41406cea47d909 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5db7fd44d61baa1ffa03d3f0404e01faa5ac921576d6b80fd2a546fbc6aea62 +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_026_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..29346466589747da858085a5eefc4ff812f88875 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76840e8463f63daecd108045a3b6059d3860d0b2fd3ff50335835fbaeb015818 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_026_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_026_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..0ae8e00db56c28cc3ca350c28aae1587e0766ba5 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82cb6ed8a0518e600e291e5e049b172a867461491badaf95dbad5abf54f0ef45 +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_026_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_026_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..9c34f3e1ececcfc2fcbc5dc165c76cfe090a8adf --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_026_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c7d10a441be83d4254c07700dc8f20b443d4904aea99bb15107ea6ed4b26a29 +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/train/atom_type.npy b/data/MatPL/HfO2/pwdata/init_027_20/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/train/ei.npy b/data/MatPL/HfO2/pwdata/init_027_20/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..e927a198783544f5e746a0b55672e9a741be0310 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9dc46ab2accfee234bd27c759b10a23b2e0add9f0da5216cbc047fc7dc387e52 +size 12416 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/train/energies.npy b/data/MatPL/HfO2/pwdata/init_027_20/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..e5f245296573ea17899f35df81d8995f14acde09 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3982d187d5effe3dadac4ce7837e40b9a6baa88efb2abe17cdfd9571863ba162 +size 256 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/train/forces.npy b/data/MatPL/HfO2/pwdata/init_027_20/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..eccdeaa7603fdb005a6c69955ee26af4aa0f8ff0 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ecf90f4602ef894c332e65703322b1a727818b44b35c0de3d48f1a70fe9e6fa +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/train/image_type.npy b/data/MatPL/HfO2/pwdata/init_027_20/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/train/lattice.npy b/data/MatPL/HfO2/pwdata/init_027_20/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..c9ec8df3d3c4fc2e294947a306c5c333a7348361 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa56c8d93e2f674f2f9c74bcd1aac94960bfe465425edb52eda5ad7458c4a628 +size 1280 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/train/position.npy b/data/MatPL/HfO2/pwdata/init_027_20/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..482f1cf11897ef6594b9432c58841556c714d23c --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d438ad1fa742eb1f85fc1914e81e64f14bdf6add168f62d860390056fb7eb019 +size 36992 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/valid/atom_type.npy b/data/MatPL/HfO2/pwdata/init_027_20/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..e0142302c158309f527c5f6df12b6dd796f600fc --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:420ab1da8ef33e13bfa5166e2ef3310b4ab87d5e3de297e471ebb5848fff34dc +size 144 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/valid/ei.npy b/data/MatPL/HfO2/pwdata/init_027_20/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..57982f35ba2b5e2483f6d5118095252df645474d --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:64d8c7eee7d48dfec85e718e684da41bac48e3ad4acdd332749b92513578e415 +size 3200 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/valid/energies.npy b/data/MatPL/HfO2/pwdata/init_027_20/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..8a6615ce5c68e4e470405887e514454a1e16c92b --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d54674c2b8570524c10522931cddda591cc8e2bda68760592df4c0ebfbf165fb +size 160 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/valid/forces.npy b/data/MatPL/HfO2/pwdata/init_027_20/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..eadd2023877a383587fda61e209bd53fd861be77 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:69205423f398e4119f6a09c0770ae2514630fcc09e37febbeac2919d4d595a5d +size 9344 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/valid/image_type.npy b/data/MatPL/HfO2/pwdata/init_027_20/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..2289efccf5077963ae7f9fe1e38283c21d503e90 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eed7fbee633bad7b97e57177659c977ef04aa7b7674b2bccac91ac5cd7035e73 +size 896 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/valid/lattice.npy b/data/MatPL/HfO2/pwdata/init_027_20/valid/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..bc9a4b19f723502d54142f2afca8afda8b533175 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/valid/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:499e670ebbb5d136f5de348d5211315f0ccc9214148577a1221741e41e9a4a74 +size 416 diff --git a/data/MatPL/HfO2/pwdata/init_027_20/valid/position.npy b/data/MatPL/HfO2/pwdata/init_027_20/valid/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..54970c0bedbcb080633cff7241cf86ec4f8363d8 --- /dev/null +++ b/data/MatPL/HfO2/pwdata/init_027_20/valid/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de21778b42add9ef0e3ad385426cea1956030aba1e4df596eb55ea67ec715ebc +size 9344 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/atom_type.npy b/data/MatPL/LiSiC/pwdata/C2/train/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..40e3cb20623159184ee3fe06730f49fe6be22b24 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8150dd0d0701cb7cad1caf368ef9d949b6040c57615acb9142a8c6a20562844e +size 136 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/ei.npy b/data/MatPL/LiSiC/pwdata/C2/train/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..42fd7cb8eff145639ec36823f7d9626a5fa35212 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:86ac3a623209fc7489164c5f222848719d21f48e34cdd40607ba91d8eb847a40 +size 368 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/energies.npy b/data/MatPL/LiSiC/pwdata/C2/train/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..d0cf126ad80611305bde4cb28aac19aa438c56d1 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:784bb6e3312cfcda2edcfbd6d919bcfbe89cdb2ffa4f77a6966ee21271749a3a +size 248 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/forces.npy b/data/MatPL/LiSiC/pwdata/C2/train/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..d25316646d8f5f1c90bd6f40e39a7413dc2004e6 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e783cd1aea44f4c1b1c7a118e0757e7d687221e7fb56b36cbd0b57dacacffc25 +size 848 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/image_type.npy b/data/MatPL/LiSiC/pwdata/C2/train/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..35a487a2ecf12643efaaf766cc326653f3c3c65b --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:944856fd029d6a216d09bbcc2589fc710604a23f6c76090d0f8256cc1bf656e7 +size 144 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/lattice.npy b/data/MatPL/LiSiC/pwdata/C2/train/lattice.npy new file mode 100644 index 0000000000000000000000000000000000000000..8ee02f6a8c4a152c6ce74a1472917ed39e432071 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/lattice.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3cf9f98e527a91c3b9ee68f0601d11f27e192586fd177485a0751555375cb000 +size 1208 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/position.npy b/data/MatPL/LiSiC/pwdata/C2/train/position.npy new file mode 100644 index 0000000000000000000000000000000000000000..e2115a59356d035c7cfc048d4178f84382937121 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/position.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3bb75f1414bea93917c247e12c0a4efbf84f4364f26a6a46d116695f656a8d92 +size 848 diff --git a/data/MatPL/LiSiC/pwdata/C2/train/virials.npy b/data/MatPL/LiSiC/pwdata/C2/train/virials.npy new file mode 100644 index 0000000000000000000000000000000000000000..51cad2a036fa93035b4e59e8e9997ae0a7620100 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/train/virials.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c734f1f9528dd9d081b43394ff60c605f2cad8d38c928a06688a1f59eb02422 +size 1208 diff --git a/data/MatPL/LiSiC/pwdata/C2/valid/atom_type.npy b/data/MatPL/LiSiC/pwdata/C2/valid/atom_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..40e3cb20623159184ee3fe06730f49fe6be22b24 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/valid/atom_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8150dd0d0701cb7cad1caf368ef9d949b6040c57615acb9142a8c6a20562844e +size 136 diff --git a/data/MatPL/LiSiC/pwdata/C2/valid/ei.npy b/data/MatPL/LiSiC/pwdata/C2/valid/ei.npy new file mode 100644 index 0000000000000000000000000000000000000000..ac70d8e4ba073ebabcbb80a06bb61cefd08efbd1 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/valid/ei.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ec963027b7c6cbb50f0aa5b5d609160749b8212e5188c029256330f50fd7458 +size 144 diff --git a/data/MatPL/LiSiC/pwdata/C2/valid/energies.npy b/data/MatPL/LiSiC/pwdata/C2/valid/energies.npy new file mode 100644 index 0000000000000000000000000000000000000000..b09daf9d9dd5aa1b38b5c4afbafd17eb576799fd --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/valid/energies.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bff68fe57d6fc60af5c5ff63ff2e89d46cd8cd06888229e3726c9dae762f7b8c +size 136 diff --git a/data/MatPL/LiSiC/pwdata/C2/valid/forces.npy b/data/MatPL/LiSiC/pwdata/C2/valid/forces.npy new file mode 100644 index 0000000000000000000000000000000000000000..ae234e8c10543cec203b400a892c214c77edac76 --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/valid/forces.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4628fd6fbe3ec8874918a691b9286c337f527b051d6dbc9923c05864e941ac24 +size 176 diff --git a/data/MatPL/LiSiC/pwdata/C2/valid/image_type.npy b/data/MatPL/LiSiC/pwdata/C2/valid/image_type.npy new file mode 100644 index 0000000000000000000000000000000000000000..35a487a2ecf12643efaaf766cc326653f3c3c65b --- /dev/null +++ b/data/MatPL/LiSiC/pwdata/C2/valid/image_type.npy @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:944856fd029d6a216d09bbcc2589fc710604a23f6c76090d0f8256cc1bf656e7 +size 144