# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-V # implementation = 2020--Chen-Y--W-V--LAMMPS--ipr1 # composition = VW2 # 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 3.931985353e+03 0.86 3.567765699e+03 0.88 3.217116824e+03 0.90 2.897325340e+03 0.92 2.615424911e+03 0.94 2.366496865e+03 0.96 2.146046986e+03 0.98 1.950151988e+03 1.00 1.775502388e+03 1.02 1.604991309e+03 1.04 1.453489570e+03 1.06 1.318977299e+03 1.08 1.198925219e+03 1.10 1.091528485e+03 1.12 9.953676023e+02 1.14 9.092053491e+02 1.16 8.319114947e+02 1.18 7.624460686e+02 1.20 6.998962804e+02 1.22 6.434709034e+02 1.24 5.928185820e+02 1.26 5.469681561e+02 1.28 5.052261812e+02 1.30 4.670691478e+02 1.32 4.320340426e+02 1.34 3.997852337e+02 1.36 3.700746379e+02 1.38 3.426639750e+02 1.40 3.172929203e+02 1.42 2.937216936e+02 1.44 2.717571199e+02 1.46 2.512417809e+02 1.48 2.320372128e+02 1.50 2.140445752e+02 1.52 1.971926033e+02 1.54 1.814196417e+02 1.56 1.666738634e+02 1.58 1.529132648e+02 1.60 1.401053315e+02 1.62 1.282041102e+02 1.64 1.171391623e+02 1.66 1.068389541e+02 1.68 9.724186023e+01 1.70 8.829658077e+01 1.72 7.995250149e+01 1.74 7.222266545e+01 1.76 6.507644335e+01 1.78 5.840976197e+01 1.80 5.221834033e+01 1.82 4.647539244e+01 1.84 4.115565939e+01 1.86 3.623486084e+01 1.88 3.169256808e+01 1.90 2.751960704e+01 1.92 2.369837013e+01 1.94 2.021011294e+01 1.96 1.703722752e+01 1.98 1.416238605e+01 2.00 1.156677866e+01 2.02 9.314307172e+00 2.04 7.281551523e+00 2.06 5.452542730e+00 2.08 3.811989393e+00 2.10 2.345915632e+00 2.12 1.044117955e+00 2.14 -1.034547519e-01 2.16 -1.107546898e+00 2.18 -1.979217227e+00 2.20 -2.727457971e+00 2.22 -3.360541048e+00 2.24 -3.886589537e+00 2.26 -4.313415815e+00 2.28 -4.652490064e+00 2.30 -4.919448153e+00 2.32 -5.129396161e+00 2.34 -5.296428117e+00 2.36 -5.432562438e+00 2.38 -5.546783865e+00 2.40 -5.647585242e+00 2.42 -5.741949662e+00 2.44 -5.834790612e+00 2.46 -5.928730234e+00 2.48 -6.024003805e+00 2.50 -6.118742757e+00 2.52 -6.209503853e+00 2.54 -6.292444724e+00 2.56 -6.363988111e+00 2.58 -6.420841318e+00 2.60 -6.460210928e+00 2.62 -6.481394867e+00 2.64 -6.486509936e+00 2.66 -6.477868953e+00 2.68 -6.457526411e+00 2.70 -6.427429422e+00 2.72 -6.388884030e+00 2.74 -6.342178780e+00 2.76 -6.287502182e+00 2.78 -6.225078911e+00 2.80 -6.155502723e+00 2.82 -6.079546944e+00 2.84 -5.997710194e+00 2.86 -5.910507083e+00 2.88 -5.818519944e+00 2.90 -5.722361422e+00 2.92 -5.622612607e+00 2.94 -5.519847765e+00 2.96 -5.414642251e+00 2.98 -5.307394690e+00 3.00 -5.198408606e+00 3.02 -5.087927184e+00 3.04 -4.976121256e+00 3.06 -4.863152696e+00 3.08 -4.749179839e+00 3.10 -4.634351494e+00 3.12 -4.518822562e+00 3.14 -4.402753155e+00 3.16 -4.286237952e+00 3.18 -4.169375621e+00 3.20 -4.052284338e+00 3.22 -3.935237301e+00 3.24 -3.818569863e+00 3.26 -3.702549123e+00 3.28 -3.587449357e+00 3.30 -3.473549409e+00 3.32 -3.361112084e+00 3.34 -3.250381671e+00 3.36 -3.141599091e+00 3.38 -3.035003013e+00 3.40 -2.930827531e+00 3.42 -2.829221790e+00 3.44 -2.730216003e+00 3.46 -2.633827050e+00 3.48 -2.540065065e+00 3.50 -2.448918539e+00 3.52 -2.360362618e+00 3.54 -2.274365774e+00 3.56 -2.190889988e+00 3.58 -2.109917086e+00 3.60 -2.031454609e+00 3.62 -1.955476350e+00 3.64 -1.881909358e+00 3.66 -1.810702849e+00 3.68 -1.741877332e+00 3.70 -1.675461301e+00 3.72 -1.611456737e+00 3.74 -1.549834326e+00 3.76 -1.490557162e+00 3.78 -1.433581232e+00 3.80 -1.378850385e+00 3.82 -1.326280661e+00 3.84 -1.275764124e+00 3.86 -1.227182044e+00 3.88 -1.180402155e+00 3.90 -1.135276304e+00 3.92 -1.091670210e+00 3.94 -1.049519420e+00 3.96 -1.008764945e+00 3.98 -9.693511803e-01 4.00 -9.312119959e-01 4.02 -8.942760199e-01 4.04 -8.584691936e-01 4.06 -8.237327859e-01 4.08 -7.899833449e-01 4.10 -7.571932192e-01 4.12 -7.252481357e-01 4.14 -6.941249559e-01 4.16 -6.638297097e-01 4.18 -6.335562693e-01 4.20 -6.038061928e-01 4.22 -5.755289820e-01 4.24 -5.493786412e-01 4.26 -5.261006859e-01 4.28 -5.034124174e-01 4.30 -4.793854814e-01 4.32 -4.530919162e-01 4.34 -4.243355844e-01 4.36 -3.932854761e-01 4.38 -3.597407024e-01 4.40 -3.249943482e-01 4.42 -2.902839529e-01 4.44 -2.564636305e-01 4.46 -2.240769023e-01 4.48 -1.935765581e-01 4.50 -1.654873608e-01 4.52 -1.400738463e-01 4.54 -1.173977502e-01 4.56 -9.738024157e-02 4.58 -7.984904015e-02 4.60 -6.457456993e-02 4.62 -5.136235430e-02 4.64 -4.006628258e-02 4.66 -3.053060394e-02 4.68 -2.259497751e-02 4.70 -1.609983223e-02 4.72 -1.088957991e-02 4.74 -6.814229105e-03 4.76 -3.729856875e-03 4.78 -1.498313135e-03 4.80 1.358508524e-05 4.82 9.356950727e-04 4.84 1.394647979e-03 4.86 1.514077814e-03 4.88 1.416398447e-03 4.90 1.223427351e-03 4.92 1.035561909e-03 4.94 8.708195026e-04 4.96 7.267747240e-04 4.98 6.010021841e-04 5.00 4.911273752e-04 5.02 3.955449114e-04 5.04 3.132454865e-04 5.06 2.432353606e-04 5.08 1.845207943e-04 5.10 1.361080477e-04 5.12 9.700338119e-05 5.14 6.621305505e-05 5.16 4.274332958e-05 5.18 2.560046509e-05 5.20 1.379072190e-05 5.22 6.320360292e-06 5.24 2.195640585e-06 5.26 4.228230802e-07 5.28 8.168082956e-09 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