Download data/framework/Nicholas/framework.def from introvoyz042/RASPA2: direct link, hf CLI and curl.
- Browser
- Download file 804 Bytes
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https://huggingface.co/datasets/introvoyz042/RASPA2/resolve/main/data/framework/Nicholas/framework.def
- Command line
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hf download hf://datasets/introvoyz042/RASPA2/data/framework/Nicholas/framework.def
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curl -L -o framework.def https://huggingface.co/datasets/introvoyz042/RASPA2/resolve/main/data/framework/Nicholas/framework.def
804 Bytes
| #CoreShells bond BondDipoles UreyBradley bend inv tors improper-torsion bond/bond bond/bend bend/bend stretch/torsion bend/torsion | |
| 0 1 0 1 2 0 0 0 0 0 0 0 1 | |
| # bond stretch atom n1-n2, equilibrium distance, bondforce-constant | |
| Si O HARMONIC_BOND 300724.7766358210 1.61 | |
| # Urey-Bradly atom n1-n2, equilibrium distance, bondforce-constant | |
| Si O Si HARMONIC_UREYBRADLEY 27488.737702263100 3.1261 | |
| # bond bending atom n1-n2-n3, equilibrium angle, bondforce-constant | |
| O Si O HARMONIC_COSINE_BEND 69537.444165505200 109.5 | |
| Si O Si QUARTIC_BEND 5462.505569039470 149.5 -17157.805510863100 13351.672598242100 | |
| # bend/torsion atom n1-n2-n3-n4, | |
| Si O Si O SMOOTHED_THREE_COSINE_DIHEDRAL 0.0 0.0 -352.4197 | |