Download data/framework/Demontis/framework.def from introvoyz042/RASPA2: direct link, hf CLI and curl.
- Browser
- Download file 755 Bytes
-
https://huggingface.co/datasets/introvoyz042/RASPA2/resolve/main/data/framework/Demontis/framework.def
- Command line
-
hf download hf://datasets/introvoyz042/RASPA2/data/framework/Demontis/framework.def
-
curl -L -o framework.def https://huggingface.co/datasets/introvoyz042/RASPA2/resolve/main/data/framework/Demontis/framework.def
755 Bytes
| #CoreShells bond BondDipoles UreyBradley bend inv tors improper-torsion bond/bond bond/bend bend/bend stretch/torsion bend/torsion | |
| 0 3 0 4 0 0 0 0 0 0 0 0 0 | |
| #bond stretch atom n1-n2, equilibrium distance, bondforce-constant | |
| Si O HARMONIC_BOND 251778.0783723000 1.605 | |
| Si Oa HARMONIC_BOND 251778.0783723000 1.605 | |
| Al Oa HARMONIC_BOND 251778.0783723000 1.76 | |
| #Urey-Bradly atom n1-n2, equilibrium distance, bondforce-constant | |
| O Si O HARMONIC_UREYBRADLEY 51866.2841446938 2.61786 | |
| Oa Si O HARMONIC_UREYBRADLEY 51866.2841446938 2.61786 | |
| Oa Si Oa HARMONIC_UREYBRADLEY 51866.2841446938 2.61786 | |
| Oa Al Oa HARMONIC_UREYBRADLEY 51866.2841446938 2.8707 | |