# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Cr # implementation = 2017--Wu-C--Ni-Cr--LAMMPS--ipr1 # composition = CrNi3 # 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 2022-05-24 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 6.491084512e+02 nan nan 0.80 6.005123562e+02 nan nan 0.82 5.553668233e+02 nan nan 0.84 5.134355519e+02 6.506031871e+02 nan 0.86 4.744979474e+02 6.055140664e+02 6.489156610e+02 0.88 4.383481046e+02 5.633881069e+02 6.058602410e+02 0.90 4.047938548e+02 5.240373371e+02 5.654996432e+02 0.92 3.736558742e+02 4.872853784e+02 5.276719211e+02 0.94 3.447668481e+02 4.529667468e+02 4.922245395e+02 0.96 3.179706883e+02 4.209261966e+02 4.590138436e+02 0.98 2.931218003e+02 3.910181015e+02 4.279045568e+02 1.00 2.700843977e+02 3.631058737e+02 3.987693064e+02 1.02 2.487318590e+02 3.370614166e+02 3.714881757e+02 1.04 2.289461270e+02 3.127646099e+02 3.459482802e+02 1.06 2.106171458e+02 2.901028255e+02 3.220433678e+02 1.08 1.936423335e+02 2.689704720e+02 2.996734411e+02 1.10 1.779260900e+02 2.492685667e+02 2.787444000e+02 1.12 1.633793349e+02 2.309043322e+02 2.591677050e+02 1.14 1.499190763e+02 2.137908180e+02 2.408600590e+02 1.16 1.374680070e+02 1.978465440e+02 2.237431063e+02 1.18 1.259541266e+02 1.829951659e+02 2.077431486e+02 1.20 1.153103883e+02 1.691651597e+02 1.927908779e+02 1.22 1.054743684e+02 1.562895262e+02 1.788211222e+02 1.24 9.638795720e+01 1.443055125e+02 1.657726077e+02 1.26 8.799707053e+01 1.331543503e+02 1.535877330e+02 1.28 8.025137921e+01 1.227810102e+02 1.422123560e+02 1.30 7.310405678e+01 1.131339707e+02 1.315955934e+02 1.32 6.651154352e+01 1.041650008e+02 1.216896314e+02 1.34 6.043332586e+01 9.582895615e+01 1.124495463e+02 1.36 5.483173034e+01 8.808358756e+01 1.038331363e+02 1.38 4.967173108e+01 8.088936055e+01 9.580076221e+01 1.40 4.492076990e+01 7.420928642e+01 8.831519714e+01 1.42 4.054858830e+01 6.800876328e+01 8.134148510e+01 1.44 3.652707058e+01 6.225542680e+01 7.484680740e+01 1.46 3.283009728e+01 5.691901011e+01 6.880035667e+01 1.48 2.943340841e+01 5.197121212e+01 6.317321814e+01 1.50 2.631447570e+01 4.738557404e+01 5.793825764e+01 1.52 2.345238336e+01 4.313736324e+01 5.307001607e+01 1.54 2.082771687e+01 3.920346445e+01 4.854460993e+01 1.56 1.842245910e+01 3.556227748e+01 4.433963743e+01 1.58 1.621989348e+01 3.219362126e+01 4.043409025e+01 1.60 1.420451356e+01 2.907864380e+01 3.680827012e+01 1.62 1.236193876e+01 2.619973772e+01 3.344371044e+01 1.64 1.067883575e+01 2.354046092e+01 3.032310226e+01 1.66 9.142845127e+00 2.108546222e+01 2.743022471e+01 1.68 7.742513065e+00 1.882041161e+01 2.474987932e+01 1.70 6.467227623e+00 1.673193474e+01 2.226782831e+01 1.72 5.307159353e+00 1.480755162e+01 1.997073632e+01 1.74 4.253205964e+00 1.303561899e+01 1.784611568e+01 1.76 3.296940775e+00 1.140527641e+01 1.588227483e+01 1.78 2.430564675e+00 9.906395596e+00 1.406826971e+01 1.80 1.646861402e+00 8.529533051e+00 1.239385814e+01 1.82 9.391558709e-01 7.265885562e+00 1.084945671e+01 1.84 3.012754005e-01 6.107248558e+00 9.426100395e+00 1.86 -2.724864070e-01 5.045977047e+00 8.115404402e+00 1.88 -7.874032668e-01 4.074949049e+00 6.909528382e+00 1.90 -1.248347490e+00 3.187531312e+00 5.801142714e+00 1.92 -1.659819085e+00 2.377547209e+00 4.783396806e+00 1.94 -2.025972822e+00 1.639246678e+00 3.849889299e+00 1.96 -2.350643417e+00 9.672780516e-01 2.994640022e+00 1.98 -2.637368941e+00 3.566617056e-01 2.212063664e+00 2.00 -2.889412588e+00 -1.972346384e-01 1.496944983e+00 2.02 -3.109782910e+00 -6.987190053e-01 8.444155501e-01 2.04 -3.301252621e+00 -1.151796803e+00 2.499318519e-01 2.06 -3.466376070e+00 -1.560191051e+00 -2.907452454e-01 2.08 -3.607505474e+00 -1.927361319e+00 -7.815698194e-01 2.10 -3.726805997e+00 -2.256521442e+00 -1.226229020e+00 2.12 -3.826269747e+00 -2.550656089e+00 -1.628160110e+00 2.14 -3.907728776e+00 -2.812536257e+00 -1.990566455e+00 2.16 -3.972867146e+00 -3.044733765e+00 -2.316432546e+00 2.18 -4.023232126e+00 -3.249634225e+00 -2.608538094e+00 2.20 -4.060244579e+00 -3.429439410e+00 -2.869471257e+00 2.22 -4.085208599e+00 -3.586182444e+00 -3.101641067e+00 2.24 -4.099320453e+00 -3.721749744e+00 -3.307289062e+00 2.26 -4.103669194e+00 -3.837891328e+00 -3.488500233e+00 2.28 -4.099221714e+00 -3.936230054e+00 -3.647213257e+00 2.30 -4.086858928e+00 -4.018270278e+00 -3.785230115e+00 2.32 -4.067391278e+00 -4.085405934e+00 -3.904225104e+00 2.34 -4.041563952e+00 -4.138928099e+00 -4.005753283e+00 2.36 -4.010061721e+00 -4.180032058e+00 -4.091258385e+00 2.38 -3.973513448e+00 -4.209823915e+00 -4.162080244e+00 2.40 -3.932496267e+00 -4.229326759e+00 -4.219461736e+00 2.42 -3.887539460e+00 -4.239486435e+00 -4.264555294e+00 2.44 -3.839128068e+00 -4.241176931e+00 -4.298429002e+00 2.46 -3.787706235e+00 -4.235205405e+00 -4.322072305e+00 2.48 -3.733680310e+00 -4.222316887e+00 -4.336401349e+00 2.50 -3.677421733e+00 -4.203198659e+00 -4.342263982e+00 2.52 -3.619269703e+00 -4.178482651e+00 -4.340441892e+00 2.54 -3.559533660e+00 -4.148737071e+00 -4.331636691e+00 2.56 -3.498495586e+00 -4.114479410e+00 -4.316488181e+00 2.58 -3.436412133e+00 -4.076187583e+00 -4.295589906e+00 2.60 -3.373516600e+00 -4.034302736e+00 -4.269492296e+00 2.62 -3.310020764e+00 -3.989231807e+00 -4.238705523e+00 2.64 -3.246116578e+00 -3.941349921e+00 -4.203702173e+00 2.66 -3.181977740e+00 -3.891002621e+00 -4.164919758e+00 2.68 -3.117761149e+00 -3.838507953e+00 -4.122763059e+00 2.70 -3.053608252e+00 -3.784158415e+00 -4.077606335e+00 2.72 -2.989646291e+00 -3.728222773e+00 -4.029795378e+00 2.74 -2.925989457e+00 -3.670947751e+00 -3.979649447e+00 2.76 -2.862739957e+00 -3.612559621e+00 -3.927463073e+00 2.78 -2.799988999e+00 -3.553265669e+00 -3.873508522e+00 2.80 -2.737817707e+00 -3.493255575e+00 -3.818042695e+00 2.82 -2.676297963e+00 -3.432702691e+00 -3.761301992e+00 2.84 -2.615493184e+00 -3.371765242e+00 -3.703466747e+00 2.86 -2.555459046e+00 -3.310587432e+00 -3.644742476e+00 2.88 -2.496244141e+00 -3.249300486e+00 -3.585313238e+00 2.90 -2.437890599e+00 -3.188023612e+00 -3.525342221e+00 2.92 -2.380434645e+00 -3.126864906e+00 -3.464978727e+00 2.94 -2.323907123e+00 -3.065922183e+00 -3.404359166e+00 2.96 -2.268333981e+00 -3.005283762e+00 -3.343607978e+00 2.98 -2.213736706e+00 -2.945029185e+00 -3.282838497e+00 3.00 -2.160132738e+00 -2.885229897e+00 -3.222153756e+00 3.02 -2.107535843e+00 -2.825949871e+00 -3.161647241e+00 3.04 -2.055956458e+00 -2.767246189e+00 -3.101403589e+00 3.06 -2.005402009e+00 -2.709169588e+00 -3.041499249e+00 3.08 -1.955877204e+00 -2.651764957e+00 -2.982003087e+00 3.10 -1.907384298e+00 -2.595071813e+00 -2.922976958e+00 3.12 -1.859923342e+00 -2.539124728e+00 -2.864476238e+00 3.14 -1.813492409e+00 -2.483953733e+00 -2.806550314e+00 3.16 -1.768087799e+00 -2.429584694e+00 -2.749243050e+00 3.18 -1.723704230e+00 -2.376039660e+00 -2.692593214e+00 3.20 -1.680214539e+00 -2.323337179e+00 -2.636634873e+00 3.22 -1.635342700e+00 -2.271492599e+00 -2.581397771e+00 3.24 -1.594364841e+00 -2.220518345e+00 -2.526907672e+00 3.26 -1.594450579e+00 -2.170424172e+00 -2.473186679e+00 3.28 -1.541024679e+00 -2.121217403e+00 -2.420253536e+00 3.30 -1.509369727e+00 -2.072903147e+00 -2.368123903e+00 3.32 -1.478239691e+00 -2.025484502e+00 -2.316810617e+00 3.34 -1.447637630e+00 -1.978962741e+00 -2.266323925e+00 3.36 -1.417565947e+00 -1.933337484e+00 -2.216671713e+00 3.38 -1.388026311e+00 -1.888606749e+00 -2.167859708e+00 3.40 -1.359019613e+00 -1.844072459e+00 -2.119891669e+00 3.42 -1.330545932e+00 -1.793127763e+00 -2.072769566e+00 3.44 -1.302604526e+00 -1.718230708e+00 -2.026493740e+00 3.46 -1.275193837e+00 -1.614778529e+00 -1.981063058e+00 3.48 -1.248311514e+00 -1.574265024e+00 -1.936475052e+00 3.50 -1.221818935e+00 -1.539357589e+00 -1.892726049e+00 3.52 -1.189116253e+00 -1.505222422e+00 -1.849811289e+00 3.54 -1.120033069e+00 -1.471850631e+00 -1.807725038e+00 3.56 -8.525325954e-01 -1.439232912e+00 -1.766460689e+00 3.58 -5.419246992e-01 -1.407359610e+00 -1.726010857e+00 3.60 -5.301682140e-01 -1.376220758e+00 -1.686367465e+00 3.62 -5.186693732e-01 -1.345806134e+00 -1.647521821e+00 3.64 -5.074224201e-01 -1.316105290e+00 -1.609464699e+00 3.66 -4.964217073e-01 -1.287107595e+00 -1.572186399e+00 3.68 -4.856616984e-01 -1.258802265e+00 -1.535676812e+00 3.70 -4.751369691e-01 -1.231178395e+00 -1.499925477e+00 3.72 -4.648422083e-01 -1.204224982e+00 -1.464921635e+00 3.74 -4.547722177e-01 -1.177930949e+00 -1.430654272e+00 3.76 -4.449219119e-01 -1.152285167e+00 -1.397112167e+00 3.78 -4.352863181e-01 -1.127276471e+00 -1.364283931e+00 3.80 -4.258605748e-01 -1.102893676e+00 -1.332158041e+00 3.82 -4.166399312e-01 -1.079125590e+00 -1.300722876e+00 3.84 -4.076197459e-01 -1.055961023e+00 -1.269966746e+00 3.86 -3.987954851e-01 -1.033388798e+00 -1.239877919e+00 3.88 -3.901627213e-01 -1.011397758e+00 -1.210444648e+00 3.90 -3.817171314e-01 -9.899767670e-01 -1.181655190e+00 3.92 -3.726485261e-01 -9.674968190e-01 -1.151902988e+00 3.94 -3.527650418e-01 -9.232633802e-01 -1.100647052e+00 3.96 -2.953223070e-01 -7.978129723e-01 -9.646648573e-01 3.98 -1.638236140e-01 -4.783041587e-01 -5.996064123e-01 4.00 -1.713795955e-22 -3.429678953e-22 -3.988186903e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00