# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoFe3 # 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 2024-04-11 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 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.111172638e+02 nan nan 1.16 1.905281086e+02 nan nan 1.18 1.718919472e+02 nan nan 1.20 1.550130935e+02 nan nan 1.22 1.397170328e+02 nan nan 1.24 1.258498386e+02 nan nan 1.26 1.132768194e+02 nan nan 1.28 1.018793519e+02 1.758299972e+02 2.081578058e+02 1.30 9.155134458e+01 1.598782483e+02 1.897902655e+02 1.32 8.219655022e+01 1.453078084e+02 1.729878091e+02 1.34 7.372666181e+01 1.319876788e+02 1.576164230e+02 1.36 6.605997916e+01 1.198040451e+02 1.435547789e+02 1.38 5.912076107e+01 1.086583672e+02 1.306916383e+02 1.40 5.283920304e+01 9.846413960e+01 1.189247959e+02 1.42 4.715159590e+01 8.914378631e+01 1.081605897e+02 1.44 4.200026720e+01 8.062647949e+01 9.831299605e+01 1.46 3.733333621e+01 7.284707011e+01 8.930240750e+01 1.48 3.310440204e+01 6.574579724e+01 8.105495494e+01 1.50 2.927297561e+01 5.926805066e+01 7.350271383e+01 1.52 2.580383392e+01 5.336369819e+01 6.658431682e+01 1.54 2.266573634e+01 4.798618464e+01 6.024525243e+01 1.56 1.983107445e+01 4.309187803e+01 5.443742431e+01 1.58 1.727473582e+01 3.863980070e+01 4.911810089e+01 1.60 1.497320690e+01 3.459155652e+01 4.424872316e+01 1.62 1.290410759e+01 3.091111314e+01 3.979392059e+01 1.64 1.104610814e+01 2.756559086e+01 3.572083449e+01 1.66 9.379070338e+00 2.452428017e+01 3.199867751e+01 1.68 7.884226996e+00 2.175830626e+01 2.859896493e+01 1.70 6.544248656e+00 1.924118121e+01 2.549601777e+01 1.72 5.343162952e+00 1.694891610e+01 2.266571853e+01 1.74 4.266219584e+00 1.486008098e+01 2.008603784e+01 1.76 3.299829435e+00 1.295580171e+01 1.773678279e+01 1.78 2.431631944e+00 1.121967223e+01 1.559931764e+01 1.80 1.650628945e+00 9.637535280e+00 1.365630176e+01 1.82 9.472653824e-01 8.197119819e+00 1.189143398e+01 1.84 3.133870124e-01 6.887598367e+00 1.028920988e+01 1.86 -2.578996838e-01 5.699164846e+00 8.834748770e+00 1.88 -7.724045693e-01 4.622702033e+00 7.513775497e+00 1.90 -1.235043061e+00 3.649552069e+00 6.312803947e+00 1.92 -1.650040157e+00 2.771375111e+00 5.219464223e+00 1.94 -2.021132745e+00 1.980082243e+00 4.222820250e+00 1.96 -2.351734002e+00 1.267833654e+00 3.313529486e+00 1.98 -2.645037822e+00 6.270905385e-01 2.483791608e+00 2.00 -2.904068352e+00 5.070620734e-02 1.727129242e+00 2.02 -3.131694091e+00 -4.679613906e-01 1.038087039e+00 2.04 -3.330625536e+00 -9.349414155e-01 4.119317225e-01 2.06 -3.503409277e+00 -1.355575453e+00 -1.555926547e-01 2.08 -3.652425602e+00 -1.734496842e+00 -6.684348082e-01 2.10 -3.779892471e+00 -2.075668450e+00 -1.130338715e+00 2.12 -3.887877755e+00 -2.382467707e+00 -1.544897027e+00 2.14 -3.978366853e+00 -2.657796664e+00 -1.915574451e+00 2.16 -4.053091314e+00 -2.904192166e+00 -2.245716396e+00 2.18 -4.113606533e+00 -3.123917802e+00 -2.538552677e+00 2.20 -4.161325754e+00 -3.319030776e+00 -2.797199351e+00 2.22 -4.197493066e+00 -3.491426358e+00 -3.024656050e+00 2.24 -4.223172932e+00 -3.642866108e+00 -3.223795396e+00 2.26 -4.239239380e+00 -3.774995147e+00 -3.397345977e+00 2.28 -4.246316346e+00 -3.889351821e+00 -3.547875623e+00 2.30 -4.244905203e+00 -3.987372079e+00 -3.677780601e+00 2.32 -4.235482696e+00 -4.070394997e+00 -3.789279908e+00 2.34 -4.218517524e+00 -4.139709504e+00 -3.884409723e+00 2.36 -4.194480633e+00 -4.196398441e+00 -3.965015432e+00 2.38 -4.163846615e+00 -4.241428222e+00 -4.032750723e+00 2.40 -4.126762154e+00 -4.275691076e+00 -4.089115160e+00 2.42 -4.082894386e+00 -4.300009445e+00 -4.135316147e+00 2.44 -4.032034570e+00 -4.315144467e+00 -4.172381724e+00 2.46 -3.974117779e+00 -4.321810532e+00 -4.201213914e+00 2.48 -3.909183016e+00 -4.320595101e+00 -4.222611857e+00 2.50 -3.837342910e+00 -4.312002629e+00 -4.237290510e+00 2.52 -3.758764637e+00 -4.296555295e+00 -4.245897902e+00 2.54 -3.673663850e+00 -4.274792065e+00 -4.248952178e+00 2.56 -3.582312138e+00 -4.247263909e+00 -4.246845057e+00 2.58 -3.485055826e+00 -4.214525809e+00 -4.239948856e+00 2.60 -3.382340741e+00 -4.176987444e+00 -4.228617538e+00 2.62 -3.274735470e+00 -4.134565487e+00 -4.213183801e+00 2.64 -3.162945271e+00 -4.087132461e+00 -4.193956012e+00 2.66 -3.047810245e+00 -4.034651410e+00 -4.171193377e+00 2.68 -2.930284235e+00 -3.977148443e+00 -4.144792877e+00 2.70 -2.811394777e+00 -3.914697191e+00 -4.114438966e+00 2.72 -2.692188552e+00 -3.847414463e+00 -4.079898902e+00 2.74 -2.573670142e+00 -3.775463644e+00 -4.041008456e+00 2.76 -2.456743804e+00 -3.699061860e+00 -3.997655634e+00 2.78 -2.342167906e+00 -3.618487164e+00 -3.949771476e+00 2.80 -2.230529609e+00 -3.534082491e+00 -3.897326917e+00 2.82 -2.122243217e+00 -3.446253824e+00 -3.840333832e+00 2.84 -2.017570159e+00 -3.355460956e+00 -3.778847457e+00 2.86 -1.916653361e+00 -3.262200683e+00 -3.712966928e+00 2.88 -1.819556110e+00 -3.166983954e+00 -3.642831337e+00 2.90 -1.726296254e+00 -3.070310023e+00 -3.568610586e+00 2.92 -1.636870120e+00 -2.972641607e+00 -3.490492662e+00 2.94 -1.551264628e+00 -2.874384856e+00 -3.408670572e+00 2.96 -1.469459302e+00 -2.775876879e+00 -3.323332040e+00 2.98 -1.391421454e+00 -2.677381760e+00 -3.234653644e+00 3.00 -1.317098265e+00 -2.579094174e+00 -3.142799370e+00 3.02 -1.246409144e+00 -2.481148437e+00 -3.047922658e+00 3.04 -1.179240980e+00 -2.383630474e+00 -2.950171049e+00 3.06 -1.115447853e+00 -2.286590827e+00 -2.849693035e+00 3.08 -1.054855525e+00 -2.190058014e+00 -2.746647127e+00 3.10 -9.972699991e-01 -2.094052553e+00 -2.641213286e+00 3.12 -9.424887016e-01 -1.998602260e+00 -2.533606510e+00 3.14 -8.903125792e-01 -1.903758771e+00 -2.424091904e+00 3.16 -8.405574658e-01 -1.809614166e+00 -2.312999857e+00 3.18 -7.930634130e-01 -1.716315690e+00 -2.200739391e+00 3.20 -7.477010829e-01 -1.624076182e+00 -2.087807306e+00 3.22 -7.043747259e-01 -1.533178116e+00 -1.974790667e+00 3.24 -6.630216558e-01 -1.443969878e+00 -1.862360535e+00 3.26 -6.236084945e-01 -1.356853888e+00 -1.751255740e+00 3.28 -5.861247704e-01 -1.272267286e+00 -1.642256842e+00 3.30 -5.505747262e-01 -1.190657025e+00 -1.536152061e+00 3.32 -5.169683571e-01 -1.112452082e+00 -1.433698507e+00 3.34 -4.853127488e-01 -1.038036059e+00 -1.335583124e+00 3.36 -4.556046821e-01 -9.677234010e-01 -1.242388053e+00 3.38 -4.278251270e-01 -9.017418755e-01 -1.154564517e+00 3.40 -4.019361866e-01 -8.402229309e-01 -1.072417895e+00 3.42 -3.778808671e-01 -7.832002894e-01 -9.961048349e-01 3.44 -3.555838754e-01 -7.306159743e-01 -9.256414002e-01 3.46 -3.349545516e-01 -6.823321044e-01 -8.609198238e-01 3.48 -3.158907335e-01 -6.381463510e-01 -8.017306746e-01 3.50 -2.982829427e-01 -5.978089363e-01 -7.477871774e-01 3.52 -2.820184275e-01 -5.610393568e-01 -6.987489505e-01 3.54 -2.669847335e-01 -5.275414982e-01 -6.542432838e-01 3.56 -2.530726122e-01 -4.970163345e-01 -6.138830057e-01 3.58 -2.401782025e-01 -4.691718779e-01 -5.772807294e-01 3.60 -2.282045105e-01 -4.437304090e-01 -5.440597369e-01 3.62 -2.170622694e-01 -4.204332524e-01 -5.138619399e-01 3.64 -2.066702935e-01 -3.990434955e-01 -4.863533641e-01 3.66 -1.969554421e-01 -3.793470857e-01 -4.612275459e-01 3.68 -1.878523056e-01 -3.611527209e-01 -4.382071841e-01 3.70 -1.793027074e-01 -3.442909063e-01 -4.170443686e-01 3.72 -1.712551000e-01 -3.286124764e-01 -3.975197097e-01 3.74 -1.636639108e-01 -3.139866353e-01 -3.794406763e-01 3.76 -1.564888820e-01 -3.002994576e-01 -3.626394340e-01 3.78 -1.496944319e-01 -2.874518840e-01 -3.469704117e-01 3.80 -1.432490545e-01 -2.753576648e-01 -3.323076093e-01 3.82 -1.371247686e-01 -2.639417147e-01 -3.185427156e-01 3.84 -1.312966195e-01 -2.531385961e-01 -3.055824983e-01 3.86 -1.257422335e-01 -2.428911497e-01 -2.933466074e-01 3.88 -1.204414223e-01 -2.331492808e-01 -2.817657715e-01 3.90 -1.153758349e-01 -2.238688963e-01 -2.707801922e-01 3.92 -1.105286506e-01 -2.150109849e-01 -2.603381379e-01 3.94 -1.058843100e-01 -2.065408290e-01 -2.503947278e-01 3.96 -1.014282790e-01 -1.984273386e-01 -2.409108890e-01 3.98 -9.714684202e-02 -1.906424963e-01 -2.318524689e-01 4.00 -9.302692173e-02 -1.831609076e-01 -2.231894815e-01 4.02 -8.905592308e-02 -1.759594489e-01 -2.148954709e-01 4.04 -8.522160116e-02 -1.690170123e-01 -2.069469744e-01 4.06 -8.151195317e-02 -1.623143428e-01 -1.993230700e-01 4.08 -7.791513704e-02 -1.558339701e-01 -1.920049954e-01 4.10 -7.441942067e-02 -1.495602288e-01 -1.849758275e-01 4.12 -7.101316769e-02 -1.434793639e-01 -1.782202119e-01 4.14 -6.768486801e-02 -1.375797041e-01 -1.717241354e-01 4.16 -6.442322298e-02 -1.318518822e-01 -1.654747326e-01 4.18 -6.121729619e-02 -1.262890613e-01 -1.594601230e-01 4.20 -5.805674122e-02 -1.208871160e-01 -1.536692714e-01 4.22 -5.493211544e-02 -1.156447061e-01 -1.480918690e-01 4.24 -5.183528364e-02 -1.105631783e-01 -1.427182311e-01 4.26 -4.875990672e-02 -1.056462442e-01 -1.375392083e-01 4.28 -4.570199534e-02 -1.008994111e-01 -1.325461086e-01 4.30 -4.266048671e-02 -9.632919199e-02 -1.277306291e-01 4.32 -3.963778930e-02 -9.194216178e-02 -1.230847951e-01 4.34 -3.664020759e-02 -8.774397531e-02 -1.186009044e-01 4.36 -3.367814931e-02 -8.373831176e-02 -1.142714772e-01 4.38 -3.076601801e-02 -7.992630850e-02 -1.100892096e-01 4.40 -2.792171499e-02 -7.630674109e-02 -1.060469302e-01 4.42 -2.516572381e-02 -7.287536666e-02 -1.021375592e-01 4.44 -2.251921674e-02 -6.962514582e-02 -9.835407040e-02 4.46 -2.000356770e-02 -6.654670172e-02 -9.468945559e-02 4.48 -1.763889310e-02 -6.362889378e-02 -9.113669145e-02 4.50 -1.544185932e-02 -6.085941455e-02 -8.768871033e-02 4.52 -1.342454264e-02 -5.822533984e-02 -8.433837537e-02 4.54 -1.159377586e-02 -5.571358901e-02 -8.107846234e-02 4.56 -9.951026939e-03 -5.331127853e-02 -7.790164871e-02 4.58 -8.492765028e-03 -5.100597165e-02 -7.480051503e-02 4.60 -7.211198373e-03 -4.878583973e-02 -7.176756044e-02 4.62 -6.095234846e-03 -4.663975730e-02 -6.879523714e-02 4.64 -5.131516271e-03 -4.455735422e-02 -6.587600888e-02 4.66 -4.305403806e-03 -4.252904718e-02 -6.300243881e-02 4.68 -3.601831230e-03 -4.054606937e-02 -6.016731235e-02 4.70 -3.005983236e-03 -3.860051356e-02 -5.736380015e-02 4.72 -2.503789267e-03 -3.668539927e-02 -5.458566499e-02 4.74 -2.082246740e-03 -3.479477044e-02 -5.182751330e-02 4.76 -1.729600582e-03 -3.292382473e-02 -4.908508823e-02 4.78 -1.435410674e-03 -3.106906999e-02 -4.635559447e-02 4.80 -1.190538190e-03 -2.922849493e-02 -4.363803415e-02 4.82 -9.870777746e-04 -2.740173959e-02 -4.093353188e-02 4.84 -8.182572528e-04 -2.559023791e-02 -3.824560871e-02 4.86 -6.783212193e-04 -2.379730397e-02 -3.558036172e-02 4.88 -5.624101301e-04 -2.202812963e-02 -3.294650323e-02 4.90 -4.664425564e-04 -2.028966556e-02 -3.035521780e-02 4.92 -3.870052637e-04 -1.859036638e-02 -2.781980958e-02 4.94 -3.212536453e-04 -1.693979654e-02 -2.535513552e-02 4.96 -2.668234884e-04 -1.534782538e-02 -2.297641841e-02 4.98 -2.217540656e-04 -1.382443893e-02 -2.069898014e-02 5.00 -1.844219598e-04 -1.237937726e-02 -1.853771258e-02 5.02 -1.534847003e-04 -1.102110570e-02 -1.650554500e-02 5.04 -1.278331294e-04 -9.756318216e-03 -1.461270831e-02 5.06 -1.065513969e-04 -8.589594892e-03 -1.286622878e-02 5.08 -8.888353299e-05 -7.523239882e-03 -1.126969101e-02 5.10 -7.420562824e-05 -6.557300613e-03 -9.823271803e-03 5.12 -6.200274670e-05 -5.689745403e-03 -8.524010663e-03 5.14 -5.184981698e-05 -4.916760106e-03 -7.366258094e-03 5.16 -4.339584553e-05 -4.233116907e-03 -6.342231539e-03 5.18 -3.635089161e-05 -3.632569360e-03 -5.442610175e-03 5.20 -3.047533124e-05 -3.108235133e-03 -4.657110865e-03 5.22 -2.557101568e-05 -2.652938606e-03 -3.975003560e-03 5.24 -2.147399289e-05 -2.259496849e-03 -3.385541493e-03 5.26 -1.804851618e-05 -1.920942535e-03 -2.878296565e-03 5.28 -1.518211339e-05 -1.630685042e-03 -2.443401820e-03 5.30 -1.278152847e-05 -1.382616016e-03 -2.071710480e-03 5.32 -1.076938003e-05 -1.171168371e-03 -1.754884999e-03 5.34 -9.081409076e-06 -9.913385361e-04 -1.485430898e-03 5.36 -7.664211542e-06 -8.386813609e-04 -1.256689502e-03 5.38 -6.473369040e-06 -7.092859671e-04 -1.062802033e-03 5.40 -5.471906875e-06 -5.997393948e-04 -8.986553319e-04 5.42 -4.629021409e-06 -5.070834051e-04 -7.598172836e-04 5.44 -3.919029058e-06 -4.287684331e-04 -6.424679165e-04 5.46 -3.320497620e-06 -3.626075196e-04 -5.433304494e-04 5.48 -2.815527761e-06 -3.067321101e-04 -4.596051093e-04 5.50 -2.389158367e-06 -2.595508820e-04 -3.889074724e-04 5.52 -2.028873981e-06 -2.197122266e-04 -3.292122707e-04 5.54 -1.724196437e-06 -1.860706322e-04 -2.788030157e-04 5.56 -1.466346079e-06 -1.576569549e-04 -2.362275420e-04 5.58 -1.247960497e-06 -1.336524004e-04 -2.002589027e-04 5.60 -1.062860782e-06 -1.133659443e-04 -1.698616265e-04 5.62 -9.058571380e-07 -9.621486783e-05 -1.441625307e-04 5.64 -7.725870896e-07 -8.170807045e-05 -1.224257186e-04 5.66 -6.593807271e-07 -6.943182765e-05 -1.040312386e-04 5.68 -5.631483455e-07 -5.903767886e-05 -8.845693538e-05 5.70 -4.812867065e-07 -5.023215732e-05 -7.526306045e-05 5.72 -4.116007717e-07 -4.276810224e-05 -6.407925403e-05 5.74 -3.522382916e-07 -3.643732343e-05 -5.459355308e-05 5.76 -3.016350982e-07 -3.106441701e-05 -4.654312420e-05 5.78 -2.584693188e-07 -2.650155764e-05 -3.970645993e-05 5.80 -2.216230226e-07 -2.262411702e-05 -3.389681298e-05 5.82 -1.901500658e-07 -1.932697983e-05 -2.895667575e-05 5.84 -1.632491157e-07 -1.652144748e-05 -2.475314057e-05 5.86 -1.402410032e-07 -1.413263661e-05 -2.117400141e-05 5.88 -1.205496919e-07 -1.209729358e-05 -1.812447877e-05 5.90 -1.036862745e-07 -1.036195828e-05 -1.552446837e-05 5.92 -8.923550727e-08 -8.881421560e-06 -1.330622941e-05 5.94 -7.684446961e-08 -7.617428704e-06 -1.141244192e-05 5.96 -6.621300619e-08 -6.537589741e-06 -9.794573770e-06 5.98 -5.708566651e-08 -5.614463090e-06 -8.411507623e-06 6.00 -4.924490249e-08 -4.824784748e-06 -7.228385838e-06