# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-W # implementation = 2025--Sharifi-H--Ni-W--LAMMPS--ipr1 # composition = Ni2W # 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 2025-07-01 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 nan 0.86 nan 0.88 nan 0.90 2.248382340e+03 0.92 2.083661862e+03 0.94 1.931624467e+03 0.96 1.791203747e+03 0.98 1.661447482e+03 1.00 1.541499583e+03 1.02 1.430602862e+03 1.04 1.325233825e+03 1.06 1.221961463e+03 1.08 1.122458246e+03 1.10 1.027894624e+03 1.12 9.389901668e+02 1.14 8.561254533e+02 1.16 7.794299952e+02 1.18 7.088508936e+02 1.20 6.442062256e+02 1.22 5.852262727e+02 1.24 5.315850621e+02 1.26 4.829242787e+02 1.28 4.388711363e+02 1.30 3.990515072e+02 1.32 3.630993524e+02 1.34 3.306632702e+02 1.36 3.014108323e+02 1.38 2.750312236e+02 1.40 2.512366078e+02 1.42 2.297625462e+02 1.44 2.103677224e+02 1.46 1.928331838e+02 1.48 1.769612477e+02 1.50 1.625741961e+02 1.52 1.495128525e+02 1.54 1.376351046e+02 1.56 1.268144268e+02 1.58 1.169384400e+02 1.60 1.079075299e+02 1.62 9.963354399e+01 1.64 9.203857606e+01 1.66 8.505384102e+01 1.68 7.861864445e+01 1.70 7.267944158e+01 1.72 6.718898230e+01 1.74 6.210553735e+01 1.76 5.739216738e+01 1.78 5.301600499e+01 1.80 4.894768622e+01 1.82 4.516087823e+01 1.84 4.163186339e+01 1.86 3.833917909e+01 1.88 3.526331465e+01 1.90 3.238646651e+01 1.92 2.969235099e+01 1.94 2.716607205e+01 1.96 2.479403888e+01 1.98 2.256392437e+01 2.00 2.046465381e+01 2.02 1.848641010e+01 2.04 1.662064144e+01 2.06 1.486005550e+01 2.08 1.319854350e+01 2.10 1.163104882e+01 2.12 1.015348309e+01 2.14 8.762617716e+00 2.16 7.455938341e+00 2.18 6.231480176e+00 2.20 5.087649872e+00 2.22 4.023021757e+00 2.24 3.036165519e+00 2.26 2.125503403e+00 2.28 1.289202092e+00 2.30 5.251032348e-01 2.32 -1.693075466e-01 2.34 -7.968968575e-01 2.36 -1.360851130e+00 2.38 -1.864623186e+00 2.40 -2.311865647e+00 2.42 -2.706358455e+00 2.44 -3.051936665e+00 2.46 -3.352422986e+00 2.48 -3.611556230e+00 2.50 -3.832957126e+00 2.52 -4.020162393e+00 2.54 -4.176414334e+00 2.56 -4.304790539e+00 2.58 -4.408151536e+00 2.60 -4.489137150e+00 2.62 -4.550168453e+00 2.64 -4.593453985e+00 2.66 -4.620999108e+00 2.68 -4.634617494e+00 2.70 -4.635943913e+00 2.72 -4.626447680e+00 2.74 -4.607446251e+00 2.76 -4.580118573e+00 2.78 -4.545517942e+00 2.80 -4.504584161e+00 2.82 -4.458154916e+00 2.84 -4.406976278e+00 2.86 -4.351712342e+00 2.88 -4.292953991e+00 2.90 -4.231226836e+00 2.92 -4.166998360e+00 2.94 -4.100684327e+00 2.96 -4.032654513e+00 2.98 -3.963237816e+00 3.00 -3.892726798e+00 3.02 -3.821381726e+00 3.04 -3.749434143e+00 3.06 -3.677090046e+00 3.08 -3.604532687e+00 3.10 -3.531925056e+00 3.12 -3.459412081e+00 3.14 -3.387122566e+00 3.16 -3.315170911e+00 3.18 -3.243658631e+00 3.20 -3.172675707e+00 3.22 -3.102301773e+00 3.24 -3.032607176e+00 3.26 -2.963653917e+00 3.28 -2.895496484e+00 3.30 -2.828182594e+00 3.32 -2.761753854e+00 3.34 -2.696246354e+00 3.36 -2.631691191e+00 3.38 -2.568114942e+00 3.40 -2.505540088e+00 3.42 -2.443985393e+00 3.44 -2.383466247e+00 3.46 -2.323994972e+00 3.48 -2.265581103e+00 3.50 -2.208231636e+00 3.52 -2.151951262e+00 3.54 -2.096742568e+00 3.56 -2.042606228e+00 3.58 -1.989541177e+00 3.60 -1.937544764e+00 3.62 -1.886612898e+00 3.64 -1.836740179e+00 3.66 -1.787920018e+00 3.68 -1.740144747e+00 3.70 -1.693405726e+00 3.72 -1.647693428e+00 3.74 -1.602997535e+00 3.76 -1.559307012e+00 3.78 -1.516610182e+00 3.80 -1.474894798e+00 3.82 -1.434148103e+00 3.84 -1.394356888e+00 3.86 -1.355507549e+00 3.88 -1.317586138e+00 3.90 -1.280578406e+00 3.92 -1.244469852e+00 3.94 -1.209245759e+00 3.96 -1.174891232e+00 3.98 -1.141391235e+00 4.00 -1.108730621e+00 4.02 -1.076894166e+00 4.04 -1.045866588e+00 4.06 -1.015632583e+00 4.08 -9.861768432e-01 4.10 -9.574840780e-01 4.12 -9.295390375e-01 4.14 -9.023265297e-01 4.16 -8.758314377e-01 4.18 -8.500387356e-01 4.20 -8.249335032e-01 4.22 -8.005009395e-01 4.24 -7.767263742e-01 4.26 -7.533867777e-01 4.28 -7.262855453e-01 4.30 -6.839581629e-01 4.32 -6.222410153e-01 4.34 -5.908904801e-01 4.36 -5.730625443e-01 4.38 -5.557345591e-01 4.40 -5.388942872e-01 4.42 -5.225297027e-01 4.44 -5.066289925e-01 4.46 -4.911805565e-01 4.48 -4.761730089e-01 4.50 -4.615951778e-01 4.52 -4.474361053e-01 4.54 -4.336850471e-01 4.56 -4.203314718e-01 4.58 -4.073650600e-01 4.60 -3.947757035e-01 4.62 -3.825535035e-01 4.64 -3.706887695e-01 4.66 -3.591720174e-01 4.68 -3.479939678e-01 4.70 -3.371455439e-01 4.72 -3.266178698e-01 4.74 -3.164022677e-01 4.76 -3.064902558e-01 4.78 -2.968735461e-01 4.80 -2.875440415e-01 4.82 -2.784938335e-01 4.84 -2.697151993e-01 4.86 -2.612005992e-01 4.88 -2.529426737e-01 4.90 -2.449342409e-01 4.92 -2.364504502e-01 4.94 -2.186313435e-01 4.96 -1.709057594e-01 4.98 -7.917074496e-02 5.00 -1.282466046e-23 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 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