# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Al3Cr # 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 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 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.733234472e+02 nan nan 0.98 2.508957854e+02 nan nan 1.00 2.306591751e+02 nan nan 1.02 2.119845849e+02 nan nan 1.04 1.951632764e+02 nan nan 1.06 1.795677877e+02 nan nan 1.08 1.651196926e+02 2.402808245e+02 nan 1.10 1.522501553e+02 2.227395172e+02 2.507579021e+02 1.12 1.400058014e+02 2.060500535e+02 2.322044415e+02 1.14 1.291498138e+02 1.905182329e+02 2.157288035e+02 1.16 1.188593844e+02 1.765265399e+02 1.998639625e+02 1.18 1.095368854e+02 1.634688431e+02 1.853922083e+02 1.20 1.006570023e+02 1.520884134e+02 1.722021366e+02 1.22 9.288939050e+01 1.408942935e+02 1.603170087e+02 1.24 8.532310406e+01 1.303684660e+02 1.488176747e+02 1.26 7.871408759e+01 1.209470360e+02 1.383293504e+02 1.28 7.227434865e+01 1.121416157e+02 1.285107823e+02 1.30 6.669455058e+01 1.040039220e+02 1.192216780e+02 1.32 6.121713989e+01 9.621077150e+01 1.108851528e+02 1.34 5.610217175e+01 8.946897428e+01 1.028086430e+02 1.36 5.164789228e+01 8.272459023e+01 9.547756835e+01 1.38 4.742713378e+01 7.651207624e+01 8.883522393e+01 1.40 4.336084003e+01 7.070605619e+01 8.231930727e+01 1.42 3.977477027e+01 6.531723548e+01 7.643372243e+01 1.44 3.651509134e+01 6.077917666e+01 7.078712877e+01 1.46 3.328802184e+01 5.644075803e+01 6.601356447e+01 1.48 3.028825340e+01 5.204501670e+01 6.107988951e+01 1.50 2.751628914e+01 4.796105410e+01 5.669768510e+01 1.52 2.518228307e+01 4.433194087e+01 5.240457871e+01 1.54 2.289400781e+01 4.111225456e+01 4.873190202e+01 1.56 2.067677479e+01 3.778699965e+01 4.497919527e+01 1.58 1.867203294e+01 3.475416576e+01 4.157210460e+01 1.60 1.677528093e+01 3.187441498e+01 3.830857782e+01 1.62 1.531320296e+01 2.919645748e+01 3.526807559e+01 1.64 1.366892481e+01 2.670589516e+01 3.275834375e+01 1.66 1.215079630e+01 2.455009752e+01 3.008938794e+01 1.68 1.074948589e+01 2.254153259e+01 2.760238081e+01 1.70 9.456390573e+00 2.051083402e+01 2.528473929e+01 1.72 8.473246758e+00 1.862252871e+01 2.312482811e+01 1.74 7.449567480e+00 1.703570594e+01 2.111188010e+01 1.76 6.462927458e+00 1.538943195e+01 1.972455290e+01 1.78 5.503277127e+00 1.385920338e+01 1.793602110e+01 1.80 4.619895829e+00 1.243708282e+01 1.626997652e+01 1.82 3.866901168e+00 1.132954474e+01 1.489713185e+01 1.84 3.115235438e+00 1.008510891e+01 1.343803101e+01 1.86 2.531117314e+00 9.252494101e+00 1.207955470e+01 1.88 1.986077617e+00 8.154578809e+00 1.081502914e+01 1.90 1.408983660e+00 7.135972516e+00 9.809945726e+00 1.92 8.612845797e-01 6.191339592e+00 8.702058484e+00 1.94 3.602413628e-01 5.401955560e+00 7.671750397e+00 1.96 -9.751525190e-02 4.584363097e+00 6.713938826e+00 1.98 -5.151130645e-01 3.827322999e+00 5.823887233e+00 2.00 -8.954566402e-01 3.126793579e+00 5.171990563e+00 2.02 -1.241244050e+00 2.479008176e+00 4.392015653e+00 2.04 -1.554982255e+00 1.880455093e+00 3.668309014e+00 2.06 -1.686996871e+00 1.327859115e+00 2.997220492e+00 2.08 -1.922487313e+00 8.181645072e-01 2.375341298e+00 2.10 -2.128418714e+00 4.926443587e-01 1.967834323e+00 2.12 -2.321293986e+00 1.297703573e-01 1.506879123e+00 2.14 -2.521197956e+00 -2.823551822e-01 9.977263268e-01 2.16 -2.699808629e+00 -6.608885431e-01 5.273796893e-01 2.18 -2.858700869e+00 -1.008068962e+00 9.332802236e-02 2.20 -2.999340642e+00 -1.325989379e+00 -3.067783695e-01 2.22 -3.123092674e+00 -1.616606437e+00 -6.751386453e-01 2.24 -3.144953972e+00 -1.709202611e+00 -9.706747953e-01 2.26 -3.244190719e+00 -1.961655456e+00 -1.284356218e+00 2.28 -3.329741814e+00 -2.191240474e+00 -1.571907175e+00 2.30 -3.402655038e+00 -2.399499566e+00 -1.835030165e+00 2.32 -3.363060227e+00 -2.587875721e+00 -2.075320398e+00 2.34 -3.322572922e+00 -2.757719531e+00 -2.294272826e+00 2.36 -3.375375799e+00 -2.910295257e+00 -2.493288676e+00 2.38 -3.418287465e+00 -3.046786460e+00 -2.673681525e+00 2.40 -3.452089852e+00 -3.168301258e+00 -2.512495261e+00 2.42 -3.477511389e+00 -3.275877206e+00 -2.679115622e+00 2.44 -3.495230587e+00 -3.198472906e+00 -2.829374547e+00 2.46 -3.505879363e+00 -3.291308455e+00 -2.964360135e+00 2.48 -3.510046150e+00 -3.372328064e+00 -3.085093302e+00 2.50 -3.508278790e+00 -3.442365188e+00 -3.192531982e+00 2.52 -3.501087230e+00 -3.338562186e+00 -3.287575038e+00 2.54 -3.488946037e+00 -3.398474235e+00 -3.371065935e+00 2.56 -3.472296743e+00 -3.449047942e+00 -3.443796162e+00 2.58 -3.451550034e+00 -3.490956598e+00 -3.447904464e+00 2.60 -3.427087792e+00 -3.524831084e+00 -3.504566262e+00 2.62 -3.399264997e+00 -3.551262497e+00 -3.552379737e+00 2.64 -3.368411509e+00 -3.570804601e+00 -3.591968408e+00 2.66 -3.334833725e+00 -3.583976128e+00 -3.623917401e+00 2.68 -3.298816133e+00 -3.591262930e+00 -3.648775767e+00 2.70 -3.208941897e+00 -3.593119997e+00 -3.667058674e+00 2.72 -3.171520421e+00 -3.589973349e+00 -3.679249450e+00 2.74 -3.132255523e+00 -3.538682847e+00 -3.685801501e+00 2.76 -3.028515463e+00 -3.528994398e+00 -3.687140117e+00 2.78 -2.989769140e+00 -3.515303534e+00 -3.683664153e+00 2.80 -2.949583664e+00 -3.497943250e+00 -3.675747621e+00 2.82 -2.854879855e+00 -3.477225096e+00 -3.492886139e+00 2.84 -2.815012681e+00 -3.453440484e+00 -3.486001543e+00 2.86 -2.774087657e+00 -3.426861908e+00 -3.475205347e+00 2.88 -2.732257000e+00 -3.397744091e+00 -3.460809435e+00 2.90 -2.689661567e+00 -3.366325068e+00 -3.443106295e+00 2.92 -2.646431598e+00 -3.332827196e+00 -3.422370162e+00 2.94 -2.602687404e+00 -3.297458108e+00 -3.398858088e+00 2.96 -2.558540025e+00 -3.260411603e+00 -3.372810948e+00 2.98 -2.514091827e+00 -3.221868493e+00 -3.344454394e+00 3.00 -2.469437083e+00 -3.181997388e+00 -3.313999742e+00 3.02 -2.424662502e+00 -3.140955440e+00 -3.281644818e+00 3.04 -2.379847727e+00 -3.098889040e+00 -3.247574747e+00 3.06 -2.335065813e+00 -3.055934477e+00 -3.211962701e+00 3.08 -2.290383659e+00 -3.012218553e+00 -3.174970601e+00 3.10 -2.245862423e+00 -2.967859160e+00 -3.136749777e+00 3.12 -2.201557910e+00 -2.922965834e+00 -3.097441592e+00 3.14 -2.157520930e+00 -2.877640257e+00 -3.057178033e+00 3.16 -2.069860962e+00 -2.775988206e+00 -2.928208896e+00 3.18 -2.028505644e+00 -2.732685384e+00 -2.890420669e+00 3.20 -1.987452083e+00 -2.689092072e+00 -2.851839039e+00 3.22 -1.946738398e+00 -2.645288609e+00 -2.812571882e+00 3.24 -1.906399037e+00 -2.601349389e+00 -2.772719812e+00 3.26 -1.866465022e+00 -2.557343223e+00 -2.732376600e+00 3.28 -1.826964192e+00 -2.513333686e+00 -2.691629578e+00 3.30 -1.787921421e+00 -2.301216967e+00 -2.650560016e+00 3.32 -1.749358826e+00 -2.264888422e+00 -2.609243479e+00 3.34 -1.711295960e+00 -2.228385462e+00 -2.567750167e+00 3.36 -1.673749997e+00 -2.191768302e+00 -2.526145228e+00 3.38 -1.532344406e+00 -2.155092747e+00 -2.484489060e+00 3.40 -1.500252828e+00 -2.118410458e+00 -2.442837594e+00 3.42 -1.468535773e+00 -2.081769196e+00 -2.401242563e+00 3.44 -1.437209799e+00 -2.045213060e+00 -2.359751748e+00 3.46 -1.406289562e+00 -2.008782705e+00 -2.318409222e+00 3.48 -1.375787938e+00 -1.972515551e+00 -2.277255573e+00 3.50 -1.313715629e+00 -1.936445981e+00 -2.236328111e+00 3.52 -1.285521773e+00 -1.900605525e+00 -2.195661074e+00 3.54 -1.257711487e+00 -1.865023037e+00 -2.155285812e+00 3.56 -1.230294543e+00 -1.829724861e+00 -2.115230966e+00 3.58 -1.203279365e+00 -1.794734985e+00 -2.075522637e+00 3.60 -1.176673122e+00 -1.760075189e+00 -2.036184542e+00 3.62 -1.150481821e+00 -1.725765186e+00 -1.997238164e+00 3.64 -1.118392929e+00 -1.691822748e+00 -1.787634251e+00 3.66 -1.093345169e+00 -1.658263837e+00 -1.756457769e+00 3.68 -1.068710017e+00 -1.625102714e+00 -1.725446805e+00 3.70 -1.044490279e+00 -1.592352054e+00 -1.694626239e+00 3.72 -1.020687941e+00 -1.560023049e+00 -1.664018926e+00 3.74 -9.973042269e-01 -1.528125503e+00 -1.633645817e+00 3.76 -9.743396590e-01 -1.496667926e+00 -1.603526071e+00 3.78 -9.517941122e-01 -1.465657622e+00 -1.573677165e+00 3.80 -9.296668662e-01 -1.435100767e+00 -1.544114988e+00 3.82 -9.079566534e-01 -1.405002491e+00 -1.514853945e+00 3.84 -8.866617044e-01 -1.375366946e+00 -1.485907042e+00 3.86 -8.657797905e-01 -1.256593043e+00 -1.457285972e+00 3.88 -8.453082630e-01 -1.231256656e+00 -1.429001199e+00 3.90 -8.252440908e-01 -1.206264826e+00 -1.401062031e+00 3.92 -8.055838950e-01 -1.181623038e+00 -1.373476694e+00 3.94 -7.863239810e-01 -1.157335942e+00 -1.346252400e+00 3.96 -7.674603697e-01 -1.133407410e+00 -1.319395414e+00 3.98 -7.489888252e-01 -1.109840591e+00 -1.292911109e+00 4.00 -7.309048814e-01 -1.086637955e+00 -1.266804032e+00 4.02 -7.132038671e-01 -1.063801341e+00 -1.241077952e+00 4.04 -6.958809284e-01 -1.041332006e+00 -1.215735914e+00 4.06 -6.789310509e-01 -1.019230659e+00 -1.190780288e+00 4.08 -6.623490791e-01 -9.974975068e-01 -1.166212813e+00 4.10 -6.461297354e-01 -9.761322853e-01 -1.142034644e+00 4.12 -6.302676375e-01 -9.551342979e-01 -1.118246391e+00 4.14 -6.147573140e-01 -9.345024467e-01 -1.094848153e+00 4.16 -5.995932198e-01 -9.142352637e-01 -1.071839565e+00 4.18 -5.847697500e-01 -8.943309394e-01 -1.049219821e+00 4.20 -5.702812523e-01 -8.747873505e-01 -1.026987714e+00 4.22 -5.561220394e-01 -8.556020852e-01 -1.005141665e+00 4.24 -5.422863998e-01 -8.367724675e-01 -9.836797481e-01 4.26 -5.287686079e-01 -8.182955799e-01 -9.625997228e-01 4.28 -5.155629335e-01 -8.001682845e-01 -9.418990560e-01 4.30 -5.026636503e-01 -7.823872436e-01 -9.215749473e-01 4.32 -4.900650443e-01 -7.649489375e-01 -9.016243515e-01 4.34 -4.777614204e-01 -7.478496833e-01 -8.820439999e-01 4.36 -4.657471096e-01 -7.310856505e-01 -8.628304200e-01 4.38 -4.540164751e-01 -7.146528769e-01 -8.439799546e-01 4.40 -4.425639176e-01 -6.985472834e-01 -8.254887794e-01 4.42 -4.313838808e-01 -6.827646870e-01 -8.073529195e-01 4.44 -4.204708555e-01 -6.673008141e-01 -7.895682652e-01 4.46 -4.098193845e-01 -6.521513121e-01 -7.275399520e-01 4.48 -3.994240658e-01 -6.373117607e-01 -7.118987608e-01 4.50 -3.892795562e-01 -6.227776822e-01 -6.965487212e-01 4.52 -3.793805744e-01 -6.085445514e-01 -6.814868164e-01 4.54 -3.697219037e-01 -5.946078043e-01 -6.667099130e-01 4.56 -3.602983943e-01 -5.809628470e-01 -6.522147737e-01 4.58 -3.511049658e-01 -5.676050633e-01 -6.379980676e-01 4.60 -3.421366084e-01 -5.545298219e-01 -6.240563811e-01 4.62 -3.333883852e-01 -5.417324836e-01 -6.103862272e-01 4.64 -3.248554330e-01 -5.292084071e-01 -5.969840552e-01 4.66 -3.165329639e-01 -5.169529554e-01 -5.838462587e-01 4.68 -3.084162660e-01 -5.049615005e-01 -5.709691838e-01 4.70 -3.005007042e-01 -4.932294292e-01 -5.583491369e-01 4.72 -2.927817210e-01 -4.817521472e-01 -5.459823915e-01 4.74 -2.852548365e-01 -4.705250836e-01 -5.338651947e-01 4.76 -2.779156492e-01 -4.595436944e-01 -5.219937734e-01 4.78 -2.707598360e-01 -4.488034669e-01 -5.103643401e-01 4.80 -2.637831518e-01 -4.382999221e-01 -4.989730983e-01 4.82 -2.569814303e-01 -4.280286184e-01 -4.878162473e-01 4.84 -2.503505827e-01 -4.179851538e-01 -4.768899867e-01 4.86 -2.438865986e-01 -4.081651689e-01 -4.661905214e-01 4.88 -2.375855445e-01 -3.985643488e-01 -4.557140645e-01 4.90 -2.314435641e-01 -3.891784253e-01 -4.454568422e-01 4.92 -2.254568776e-01 -3.800031787e-01 -4.354150961e-01 4.94 -2.196217809e-01 -3.710344394e-01 -4.255850872e-01 4.96 -2.139346450e-01 -3.622680895e-01 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