# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-Mo # implementation = 2020--Chen-Y--W-Mo--LAMMPS--ipr1 # composition = Mo2W # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-12-14 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 3.381685289e+03 0.86 3.062654595e+03 0.88 2.766955269e+03 0.90 2.500319123e+03 0.92 2.264009879e+03 0.94 2.054109534e+03 0.96 1.867075339e+03 0.98 1.700007773e+03 1.00 1.550330580e+03 1.02 1.387708822e+03 1.04 1.244125586e+03 1.06 1.117780641e+03 1.08 1.005930259e+03 1.10 9.066082264e+02 1.12 8.183061294e+02 1.14 7.397493024e+02 1.16 6.698152102e+02 1.18 6.074817012e+02 1.20 5.518157295e+02 1.22 5.019938675e+02 1.24 4.576616085e+02 1.26 4.178799357e+02 1.28 3.820161560e+02 1.30 3.495944672e+02 1.32 3.201877497e+02 1.34 2.934680574e+02 1.36 2.691852003e+02 1.38 2.471011625e+02 1.40 2.269420737e+02 1.42 2.084501346e+02 1.44 1.914164817e+02 1.46 1.756681521e+02 1.48 1.610568908e+02 1.50 1.474983664e+02 1.52 1.349504597e+02 1.54 1.233747106e+02 1.56 1.127279263e+02 1.58 1.029602172e+02 1.60 9.402253460e+01 1.62 8.584761310e+01 1.64 7.834611410e+01 1.66 7.143444021e+01 1.68 6.505741065e+01 1.70 5.916541248e+01 1.72 5.370573064e+01 1.74 4.867272947e+01 1.76 4.404061211e+01 1.78 3.972780814e+01 1.80 3.572595969e+01 1.82 3.201929835e+01 1.84 2.859345954e+01 1.86 2.543344341e+01 1.88 2.252096741e+01 1.90 1.983859369e+01 1.92 1.737149529e+01 1.94 1.510589543e+01 1.96 1.302911322e+01 1.98 1.112900870e+01 2.00 9.393377264e+00 2.02 7.934744013e+00 2.04 6.590066715e+00 2.06 5.350054514e+00 2.08 4.206259523e+00 2.10 3.151833597e+00 2.12 2.184983504e+00 2.14 1.304686812e+00 2.16 5.091749692e-01 2.18 -2.044966505e-01 2.20 -8.414701161e-01 2.22 -1.408143670e+00 2.24 -1.910450593e+00 2.26 -2.353665856e+00 2.28 -2.744491317e+00 2.30 -3.091344408e+00 2.32 -3.402106599e+00 2.34 -3.683992981e+00 2.36 -3.943188775e+00 2.38 -4.184637377e+00 2.40 -4.412796900e+00 2.42 -4.631538759e+00 2.44 -4.843740159e+00 2.46 -5.050204973e+00 2.48 -5.250523526e+00 2.50 -5.443864276e+00 2.52 -5.628047654e+00 2.54 -5.798851143e+00 2.56 -5.951851405e+00 2.58 -6.082619002e+00 2.60 -6.186910853e+00 2.62 -6.262903702e+00 2.64 -6.313359747e+00 2.66 -6.341681571e+00 2.68 -6.351247012e+00 2.70 -6.345398636e+00 2.72 -6.326909439e+00 2.74 -6.297628489e+00 2.76 -6.259304504e+00 2.78 -6.213703057e+00 2.80 -6.162616981e+00 2.82 -6.107445665e+00 2.84 -6.048636660e+00 2.86 -5.986473037e+00 2.88 -5.921206557e+00 2.90 -5.853000687e+00 2.92 -5.781988614e+00 2.94 -5.708285983e+00 2.96 -5.631968863e+00 2.98 -5.552900820e+00 3.00 -5.470825702e+00 3.02 -5.385544327e+00 3.04 -5.297165931e+00 3.06 -5.205848359e+00 3.08 -5.111727845e+00 3.10 -5.014931090e+00 3.12 -4.915589222e+00 3.14 -4.813898320e+00 3.16 -4.710012183e+00 3.18 -4.604072674e+00 3.20 -4.496224769e+00 3.22 -4.386743617e+00 3.24 -4.276058420e+00 3.26 -4.164596315e+00 3.28 -4.052766270e+00 3.30 -3.940966159e+00 3.32 -3.829582120e+00 3.34 -3.718974330e+00 3.36 -3.609494953e+00 3.38 -3.501491747e+00 3.40 -3.395305793e+00 3.42 -3.291180790e+00 3.44 -3.189187175e+00 3.46 -3.089367244e+00 3.48 -2.991757819e+00 3.50 -2.896399491e+00 3.52 -2.803329763e+00 3.54 -2.712577184e+00 3.56 -2.624162168e+00 3.58 -2.538140225e+00 3.60 -2.454610502e+00 3.62 -2.373630390e+00 3.64 -2.295190024e+00 3.66 -2.219274241e+00 3.68 -2.145875299e+00 3.70 -2.074984171e+00 3.72 -2.006569414e+00 3.74 -1.940572499e+00 3.76 -1.876930211e+00 3.78 -1.815575935e+00 3.80 -1.756438910e+00 3.82 -1.699431806e+00 3.84 -1.644446708e+00 3.86 -1.591369491e+00 3.88 -1.540080202e+00 3.90 -1.490452348e+00 3.92 -1.442363673e+00 3.94 -1.395716437e+00 3.96 -1.350414477e+00 3.98 -1.306358165e+00 4.00 -1.263443895e+00 4.02 -1.221567095e+00 4.04 -1.180642926e+00 4.06 -1.140591945e+00 4.08 -1.101334700e+00 4.10 -1.062793708e+00 4.12 -1.024894679e+00 4.14 -9.875766304e-01 4.16 -9.507786269e-01 4.18 -9.144411317e-01 4.20 -8.785121147e-01 4.22 -8.429668280e-01 4.24 -8.078024541e-01 4.26 -7.730429849e-01 4.28 -7.386515665e-01 4.30 -7.046843493e-01 4.32 -6.710286952e-01 4.34 -6.372988655e-01 4.36 -6.043642599e-01 4.38 -5.729164477e-01 4.40 -5.436964008e-01 4.42 -5.156093345e-01 4.44 -4.864196105e-01 4.46 -4.547556892e-01 4.48 -4.213657953e-01 4.50 -3.872696031e-01 4.52 -3.525978248e-01 4.54 -3.162111830e-01 4.56 -2.779089695e-01 4.58 -2.381429719e-01 4.60 -1.980731493e-01 4.62 -1.601727704e-01 4.64 -1.260281286e-01 4.66 -9.636052223e-02 4.68 -7.133218407e-02 4.70 -5.076585334e-02 4.72 -3.429649888e-02 4.74 -2.147122484e-02 4.76 -1.181073542e-02 4.78 -4.843321308e-03 4.80 -1.201196350e-04 4.82 2.781262762e-03 4.84 4.258655058e-03 4.86 4.692561854e-03 4.88 4.453002045e-03 4.90 3.904886418e-03 4.92 3.350222791e-03 4.94 2.847820853e-03 4.96 2.395860699e-03 4.98 1.992522479e-03 5.00 1.636032386e-03 5.02 1.324648398e-03 5.04 1.055525015e-03 5.06 8.255794302e-04 5.08 6.317288381e-04 5.10 4.708904321e-04 5.12 3.399814061e-04 5.14 2.359189537e-04 5.16 1.556202689e-04 5.18 9.600254545e-05 5.20 5.398297706e-05 5.22 2.647875754e-05 5.24 1.040708070e-05 5.26 2.685140321e-06 5.28 2.301301909e-07 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00