# 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 = VW3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 3.794716955e+03 nan nan 0.88 3.406745585e+03 nan nan 0.90 3.060696387e+03 nan nan 0.92 2.743200302e+03 nan nan 0.94 2.463795295e+03 nan nan 0.96 2.217554672e+03 3.412264349e+03 3.920830429e+03 0.98 2.000236071e+03 3.110128347e+03 3.593826986e+03 1.00 1.807807320e+03 2.839138354e+03 3.299114853e+03 1.02 1.625122304e+03 2.552984783e+03 2.968619375e+03 1.04 1.463437924e+03 2.299663201e+03 2.675267862e+03 1.06 1.320078153e+03 2.075935825e+03 2.414634145e+03 1.08 1.193017058e+03 1.877205248e+03 2.182728719e+03 1.10 1.079932734e+03 1.700172767e+03 1.975994102e+03 1.12 9.789463633e+02 1.542289541e+03 1.791310148e+03 1.14 8.886896781e+02 1.401334632e+03 1.626041735e+03 1.16 8.078769335e+02 1.275319178e+03 1.478364391e+03 1.18 7.353895319e+02 1.162448741e+03 1.346732172e+03 1.20 6.701665865e+02 1.061147283e+03 1.228534170e+03 1.22 6.112818595e+02 9.700372765e+02 1.122179312e+03 1.24 5.579709255e+02 8.882829001e+02 1.026339859e+03 1.26 5.095842826e+02 8.144341931e+02 9.398606687e+02 1.28 4.655499353e+02 7.474392643e+02 8.617304825e+02 1.30 4.253825919e+02 6.865269194e+02 7.910697273e+02 1.32 3.886922818e+02 6.310072855e+02 7.271011667e+02 1.34 3.551155828e+02 5.803288164e+02 6.690653503e+02 1.36 3.243333684e+02 5.340573959e+02 6.162512123e+02 1.38 2.960992320e+02 4.917833601e+02 5.680384928e+02 1.40 2.702092357e+02 4.530356058e+02 5.238861545e+02 1.42 2.464636063e+02 4.173690709e+02 4.834001096e+02 1.44 2.246502556e+02 3.844223179e+02 4.462438036e+02 1.46 2.045680080e+02 3.539112215e+02 4.119134365e+02 1.48 1.860403339e+02 3.255884748e+02 3.801959865e+02 1.50 1.689177079e+02 2.992655324e+02 3.509363768e+02 1.52 1.530735618e+02 2.747947775e+02 3.239733865e+02 1.54 1.384093093e+02 2.520472467e+02 2.990710886e+02 1.56 1.248388354e+02 2.309139955e+02 2.759998257e+02 1.58 1.122834967e+02 2.113055719e+02 2.545642057e+02 1.60 1.006703633e+02 1.931508820e+02 2.346244419e+02 1.62 8.993248349e+01 1.763687412e+02 2.160517168e+02 1.64 8.009126124e+01 1.608534306e+02 1.987255830e+02 1.66 7.112697950e+01 1.465009538e+02 1.825456273e+02 1.68 6.285465127e+01 1.332216672e+02 1.674211732e+02 1.70 5.528253216e+01 1.209368833e+02 1.532696092e+02 1.72 4.837386775e+01 1.095659179e+02 1.400190577e+02 1.74 4.209039674e+01 9.910310629e+01 1.276138585e+02 1.76 3.639529626e+01 8.949029960e+01 1.160071285e+02 1.78 3.126319273e+01 8.056868102e+01 1.051600327e+02 1.80 2.671778208e+01 7.230155980e+01 9.503940898e+01 1.82 2.268061408e+01 6.464555011e+01 8.561762590e+01 1.84 1.905964959e+01 5.756409233e+01 7.687204993e+01 1.86 1.582217765e+01 5.104738028e+01 6.877839686e+01 1.88 1.293575865e+01 4.506369900e+01 6.131481849e+01 1.90 1.036851862e+01 3.957815288e+01 5.447144597e+01 1.92 8.089247521e+00 3.456960135e+01 4.819994240e+01 1.94 6.067692908e+00 3.001298867e+01 4.245678766e+01 1.96 4.275751421e+00 2.587980232e+01 3.720426024e+01 1.98 2.688684151e+00 2.214233002e+01 3.241644420e+01 2.00 1.287031398e+00 1.877210498e+01 2.806714175e+01 2.02 9.622468533e-02 1.591930125e+01 2.439584037e+01 2.04 -9.540063542e-01 1.333798040e+01 2.104736822e+01 2.06 -1.879221810e+00 1.100532374e+01 1.800085696e+01 2.08 -2.689734929e+00 8.898810895e+00 1.523678156e+01 2.10 -3.393374615e+00 6.997161784e+00 1.273635625e+01 2.12 -3.996535139e+00 5.283318643e+00 1.048216531e+01 2.14 -4.507227834e+00 3.741255467e+00 8.456190464e+00 2.16 -4.943140037e+00 2.355878875e+00 6.640936442e+00 2.18 -5.323023376e+00 1.113581343e+00 5.019621420e+00 2.20 -5.662960667e+00 6.596187912e-03 3.576027427e+00 2.22 -5.975531194e+00 -9.711651214e-01 2.294851468e+00 2.24 -6.266217425e+00 -1.826458300e+00 1.161411392e+00 2.26 -6.534933987e+00 -2.565977248e+00 1.613443774e-01 2.28 -6.779188966e+00 -3.201572204e+00 -7.194797221e-01 2.30 -6.996767326e+00 -3.749586498e+00 -1.495562699e+00 2.32 -7.184934868e+00 -4.225602844e+00 -2.181034357e+00 2.34 -7.341682336e+00 -4.644151414e+00 -2.788918486e+00 2.36 -7.470445514e+00 -5.017409160e+00 -3.331058765e+00 2.38 -7.575910668e+00 -5.354229196e+00 -3.818596066e+00 2.40 -7.662190951e+00 -5.663071117e+00 -4.262754892e+00 2.42 -7.733010164e+00 -5.951136396e+00 -4.672955347e+00 2.44 -7.790661018e+00 -6.223423999e+00 -5.055353143e+00 2.46 -7.836222276e+00 -6.483118439e+00 -5.415539676e+00 2.48 -7.870471365e+00 -6.731923114e+00 -5.757893615e+00 2.50 -7.893895712e+00 -6.970250296e+00 -6.084943312e+00 2.52 -7.906659420e+00 -7.196750584e+00 -6.396497625e+00 2.54 -7.907641974e+00 -7.406776180e+00 -6.687072631e+00 2.56 -7.895473839e+00 -7.595039066e+00 -6.950091306e+00 2.58 -7.868823984e+00 -7.756387733e+00 -7.178947524e+00 2.60 -7.826301255e+00 -7.886060242e+00 -7.366981212e+00 2.62 -7.766841022e+00 -7.981820455e+00 -7.510970677e+00 2.64 -7.691332234e+00 -8.047295466e+00 -7.616961924e+00 2.66 -7.601763708e+00 -8.087116576e+00 -7.692521760e+00 2.68 -7.500144213e+00 -8.105617489e+00 -7.744679496e+00 2.70 -7.388367059e+00 -8.106958429e+00 -7.780125096e+00 2.72 -7.268028445e+00 -8.094421951e+00 -7.804147794e+00 2.74 -7.140288145e+00 -8.069204844e+00 -7.818796706e+00 2.76 -7.006188878e+00 -8.032097553e+00 -7.825495791e+00 2.78 -6.866765912e+00 -7.983938817e+00 -7.825647183e+00 2.80 -6.722910128e+00 -7.926038276e+00 -7.820613950e+00 2.82 -6.575151602e+00 -7.859811049e+00 -7.811376102e+00 2.84 -6.423828123e+00 -7.786059763e+00 -7.797980410e+00 2.86 -6.269242759e+00 -7.705484692e+00 -7.780338086e+00 2.88 -6.111888010e+00 -7.618834227e+00 -7.758401131e+00 2.90 -5.952613250e+00 -7.526873221e+00 -7.732101769e+00 2.92 -5.792294915e+00 -7.430337561e+00 -7.701334004e+00 2.94 -5.631817153e+00 -7.329950850e+00 -7.665988012e+00 2.96 -5.472021708e+00 -7.226388653e+00 -7.625971218e+00 2.98 -5.313593200e+00 -7.120063647e+00 -7.581192474e+00 3.00 -5.157197235e+00 -7.011284022e+00 -7.531655446e+00 3.02 -5.003508716e+00 -6.900279757e+00 -7.477351096e+00 3.04 -4.853155495e+00 -6.787127778e+00 -7.418008397e+00 3.06 -4.706465945e+00 -6.671872987e+00 -7.353296512e+00 3.08 -4.563513953e+00 -6.554554897e+00 -7.282881811e+00 3.10 -4.424349112e+00 -6.435199936e+00 -7.206415709e+00 3.12 -4.289008158e+00 -6.313831657e+00 -7.123545815e+00 3.14 -4.157465412e+00 -6.190430853e+00 -7.033933996e+00 3.16 -4.029669493e+00 -6.064883083e+00 -6.937245149e+00 3.18 -3.905564840e+00 -5.937067786e+00 -6.833141326e+00 3.20 -3.785091305e+00 -5.806871730e+00 -6.721291440e+00 3.22 -3.668211583e+00 -5.674359270e+00 -6.601683520e+00 3.24 -3.554947797e+00 -5.539946078e+00 -6.474988604e+00 3.26 -3.445272059e+00 -5.404082961e+00 -6.341990800e+00 3.28 -3.339141601e+00 -5.267218430e+00 -6.203469147e+00 3.30 -3.236478512e+00 -5.129792254e+00 -6.060196469e+00 3.32 -3.137174426e+00 -4.992218799e+00 -5.912963495e+00 3.34 -3.041076556e+00 -4.854921622e+00 -5.762609762e+00 3.36 -2.948014951e+00 -4.718331382e+00 -5.609976085e+00 3.38 -2.857851464e+00 -4.582880012e+00 -5.455901011e+00 3.40 -2.770467985e+00 -4.448999391e+00 -5.301223384e+00 3.42 -2.685702967e+00 -4.317028298e+00 -5.146642799e+00 3.44 -2.603325185e+00 -4.187087800e+00 -4.992532715e+00 3.46 -2.523191116e+00 -4.059260869e+00 -4.839209722e+00 3.48 -2.445249055e+00 -3.933627963e+00 -4.686995142e+00 3.50 -2.369448232e+00 -3.810254435e+00 -4.536221778e+00 3.52 -2.295735032e+00 -3.689203499e+00 -4.387231705e+00 3.54 -2.224052545e+00 -3.570544794e+00 -4.240373733e+00 3.56 -2.154340201e+00 -3.454357514e+00 -4.096002633e+00 3.58 -2.086533112e+00 -3.340743178e+00 -3.954478353e+00 3.60 -2.020554500e+00 -3.229825585e+00 -3.816169406e+00 3.62 -1.956320727e+00 -3.121695066e+00 -3.681391658e+00 3.64 -1.893723809e+00 -3.016348370e+00 -3.550324029e+00 3.66 -1.832652774e+00 -2.913823600e+00 -3.423134508e+00 3.68 -1.773001406e+00 -2.814251836e+00 -3.300007517e+00 3.70 -1.714712357e+00 -2.717787917e+00 -3.181145008e+00 3.72 -1.657794950e+00 -2.624556722e+00 -3.066706069e+00 3.74 -1.602201604e+00 -2.534557176e+00 -2.956680544e+00 3.76 -1.547870724e+00 -2.447756639e+00 -2.851017969e+00 3.78 -1.494791042e+00 -2.364119877e+00 -2.749669824e+00 3.80 -1.442981314e+00 -2.283607349e+00 -2.652584803e+00 3.82 -1.392459608e+00 -2.206156294e+00 -2.559681058e+00 3.84 -1.343230567e+00 -2.131667702e+00 -2.470825352e+00 3.86 -1.295294655e+00 -2.060031331e+00 -2.385873427e+00 3.88 -1.248654398e+00 -1.991127318e+00 -2.304678787e+00 3.90 -1.203139567e+00 -1.924827839e+00 -2.227092335e+00 3.92 -1.159036791e+00 -1.861013604e+00 -2.152961966e+00 3.94 -1.116620224e+00 -1.799595775e+00 -2.082132089e+00 3.96 -1.076110777e+00 -1.740489435e+00 -2.014443118e+00 3.98 -1.036757511e+00 -1.683606294e+00 -1.949730931e+00 4.00 -9.978524640e-01 -1.628851040e+00 -1.887826283e+00 4.02 -9.590871256e-01 -1.576111656e+00 -1.828544447e+00 4.04 -9.204212138e-01 -1.525258912e+00 -1.771678725e+00 4.06 -8.821643666e-01 -1.476157630e+00 -1.717014435e+00 4.08 -8.449985924e-01 -1.428667518e+00 -1.664333021e+00 4.10 -8.093520631e-01 -1.382645950e+00 -1.613415170e+00 4.12 -7.754526115e-01 -1.337952658e+00 -1.564049743e+00 4.14 -7.433959070e-01 -1.294481291e+00 -1.516067567e+00 4.16 -7.131702369e-01 -1.252124775e+00 -1.469310455e+00 4.18 -6.847488086e-01 -1.210778714e+00 -1.423616372e+00 4.20 -6.580022600e-01 -1.170327120e+00 -1.378823609e+00 4.22 -6.328067411e-01 -1.130681510e+00 -1.334820225e+00 4.24 -6.091104171e-01 -1.091839292e+00 -1.291604411e+00 4.26 -5.867998325e-01 -1.053760818e+00 -1.249186876e+00 4.28 -5.651513586e-01 -1.016363561e+00 -1.207584938e+00 4.30 -5.444211469e-01 -9.798403389e-01 -1.166794005e+00 4.32 -5.249892508e-01 -9.443469875e-01 -1.126827823e+00 4.34 -5.070268900e-01 -9.100183618e-01 -1.087663142e+00 4.36 -4.906015537e-01 -8.768927000e-01 -1.049162773e+00 4.38 -4.760381303e-01 -8.445016337e-01 -1.011550692e+00 4.40 -4.628946282e-01 -8.124903351e-01 -9.750092458e-01 4.42 -4.499789792e-01 -7.806815192e-01 -9.397200987e-01 4.44 -4.365078886e-01 -7.489410450e-01 -9.053118510e-01 4.46 -4.219856959e-01 -7.172658929e-01 -8.711103990e-01 4.48 -4.061183104e-01 -6.857845337e-01 -8.367173259e-01 4.50 -3.887440815e-01 -6.542561497e-01 -8.019338542e-01 4.52 -3.697998408e-01 -6.232236255e-01 -7.666920259e-01 4.54 -3.493504512e-01 -5.934746817e-01 -7.313063251e-01 4.56 -3.274083561e-01 -5.654890677e-01 -6.963433408e-01 4.58 -3.045176084e-01 -5.398527637e-01 -6.620920507e-01 4.60 -2.813277247e-01 -5.159702319e-01 -6.288501661e-01 4.62 -2.583405698e-01 -4.921489840e-01 -5.966616937e-01 4.64 -2.359344546e-01 -4.675009330e-01 -5.647876743e-01 4.66 -2.143866817e-01 -4.419684459e-01 -5.343992916e-01 4.68 -1.938923822e-01 -4.156959816e-01 -5.065157061e-01 4.70 -1.745802994e-01 -3.890731270e-01 -4.819845190e-01 4.72 -1.565261448e-01 -3.620317744e-01 -4.606819731e-01 4.74 -1.397637746e-01 -3.346068762e-01 -4.394842828e-01 4.76 -1.242937847e-01 -3.070381385e-01 -4.163906212e-01 4.78 -1.100913037e-01 -2.795701655e-01 -3.904908030e-01 4.80 -9.711296849e-02 -2.524393245e-01 -3.616091163e-01 4.82 -8.530192735e-02 -2.258190670e-01 -3.299060677e-01 4.84 -7.459158344e-02 -2.000336631e-01 -2.963050828e-01 4.86 -6.490905591e-02 -1.756281092e-01 -2.626561397e-01 4.88 -5.617770929e-02 -1.529056094e-01 -2.301655161e-01 4.90 -4.831897695e-02 -1.319763248e-01 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-1.242426662e-04 -1.863714945e-04 5.28 -5.837981485e-06 -1.556198082e-05 -2.334308843e-05 5.30 -5.426322651e-11 -1.540894319e-10 -2.810834216e-10 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 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