# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = FeNi3 # 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 2024-01-04 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 3.687006423e+02 nan nan 0.90 3.340330323e+02 nan nan 0.92 3.029417354e+02 nan nan 0.94 2.749425548e+02 nan nan 0.96 2.495723135e+02 nan nan 0.98 2.264896892e+02 3.363818522e+02 3.867188399e+02 1.00 2.054951234e+02 3.074392365e+02 3.535709859e+02 1.02 1.864524605e+02 2.811218180e+02 3.230869182e+02 1.04 1.692102727e+02 2.571808396e+02 2.951179005e+02 1.06 1.536298269e+02 2.353860409e+02 2.695531961e+02 1.08 1.395473652e+02 2.155090742e+02 2.462765299e+02 1.10 1.268101686e+02 1.973448159e+02 2.251383954e+02 1.12 1.152917681e+02 1.807234106e+02 2.059972194e+02 1.14 1.048587185e+02 1.654907441e+02 1.886573217e+02 1.16 9.538205079e+01 1.514691534e+02 1.729252826e+02 1.18 8.674759354e+01 1.385610010e+02 1.586257913e+02 1.20 7.886341730e+01 1.267165716e+02 1.456093571e+02 1.22 7.164158797e+01 1.158743306e+02 1.337276817e+02 1.24 6.501483276e+01 1.059666036e+02 1.228345568e+02 1.26 5.894276644e+01 9.689134807e+01 1.128022806e+02 1.28 5.339049434e+01 8.856935143e+01 1.035128221e+02 1.30 4.832293263e+01 8.092634041e+01 9.488548699e+01 1.32 4.369321044e+01 7.388570646e+01 8.687973691e+01 1.34 3.946134635e+01 6.740471182e+01 7.946821838e+01 1.36 3.559526656e+01 6.144418942e+01 7.265413392e+01 1.38 3.206369395e+01 5.595838800e+01 6.641164148e+01 1.40 2.883892776e+01 5.090848616e+01 6.069985745e+01 1.42 2.590129710e+01 4.627303753e+01 5.547617155e+01 1.44 2.324084333e+01 4.201437892e+01 5.068064989e+01 1.46 2.084411403e+01 3.809754952e+01 4.626789498e+01 1.48 1.869559717e+01 3.450276498e+01 4.219953320e+01 1.50 1.678029560e+01 3.121339316e+01 3.843862123e+01 1.52 1.508076211e+01 2.820997867e+01 3.496938417e+01 1.54 1.357819142e+01 2.547710753e+01 3.178439686e+01 1.56 1.225618248e+01 2.300039119e+01 2.886789590e+01 1.58 1.110832338e+01 2.076372789e+01 2.620069522e+01 1.60 9.692578638e+00 1.875064213e+01 2.376403680e+01 1.62 8.279827167e+00 1.695201368e+01 2.154765358e+01 1.64 6.989153568e+00 1.535583714e+01 1.953819869e+01 1.66 5.809541674e+00 1.394655096e+01 1.771948655e+01 1.68 4.723688720e+00 1.270847022e+01 1.607701693e+01 1.70 3.727726372e+00 1.162535865e+01 1.459688673e+01 1.72 2.822049875e+00 1.064800333e+01 1.326772115e+01 1.74 2.005015038e+00 9.513542697e+00 1.208044202e+01 1.76 1.274166293e+00 8.293635031e+00 1.102699394e+01 1.78 6.271352681e-01 7.163978464e+00 1.000710094e+01 1.80 5.649309017e-02 6.116394963e+00 8.691539665e+00 1.82 -4.444097499e-01 5.137190995e+00 7.471537672e+00 1.84 -8.821345013e-01 4.219655639e+00 6.352319872e+00 1.86 -1.263421023e+00 3.360395213e+00 5.326873767e+00 1.88 -1.595580674e+00 2.558450850e+00 4.384043173e+00 1.90 -1.886818902e+00 1.810885622e+00 3.520824344e+00 1.92 -2.145466713e+00 1.114999654e+00 2.733238773e+00 1.94 -2.380239962e+00 4.717272237e-01 2.016390598e+00 1.96 -2.602203966e+00 -1.191954819e-01 1.365158168e+00 1.98 -2.818954679e+00 -6.577359514e-01 7.753724804e-01 2.00 -3.031387992e+00 -1.143912976e+00 2.411961382e-01 2.02 -3.236062079e+00 -1.578305149e+00 -2.436767199e-01 2.04 -3.429573584e+00 -1.962097354e+00 -6.841447869e-01 2.06 -3.608242996e+00 -2.297002793e+00 -1.083907731e+00 2.08 -3.768197679e+00 -2.586356010e+00 -1.446560905e+00 2.10 -3.906174750e+00 -2.833271590e+00 -1.775786834e+00 2.12 -4.019592304e+00 -3.043371153e+00 -2.075277488e+00 2.14 -4.109142653e+00 -3.224015589e+00 -2.348750792e+00 2.16 -4.176635559e+00 -3.380772179e+00 -2.599339182e+00 2.18 -4.224577804e+00 -3.519045792e+00 -2.832028778e+00 2.20 -4.255188600e+00 -3.643462326e+00 -3.052129443e+00 2.22 -4.270908134e+00 -3.757443101e+00 -3.262709439e+00 2.24 -4.274397409e+00 -3.861237558e+00 -3.462135175e+00 2.26 -4.268027991e+00 -3.954319126e+00 -3.647774992e+00 2.28 -4.252672054e+00 -4.036055414e+00 -3.817330608e+00 2.30 -4.228980409e+00 -4.105876412e+00 -3.968608868e+00 2.32 -4.197595643e+00 -4.163330338e+00 -4.099504808e+00 2.34 -4.159148354e+00 -4.208029120e+00 -4.208511982e+00 2.36 -4.114255441e+00 -4.240048931e+00 -4.294649408e+00 2.38 -4.063525264e+00 -4.260430548e+00 -4.358567616e+00 2.40 -4.007532253e+00 -4.270472125e+00 -4.402623832e+00 2.42 -3.946405020e+00 -4.271168319e+00 -4.428800687e+00 2.44 -3.880373258e+00 -4.263684240e+00 -4.439973280e+00 2.46 -3.809691475e+00 -4.249313289e+00 -4.438639338e+00 2.48 -3.735977727e+00 -4.229364162e+00 -4.427235210e+00 2.50 -3.661388580e+00 -4.205163051e+00 -4.408168648e+00 2.52 -3.586524239e+00 -4.177274779e+00 -4.383537036e+00 2.54 -3.511779285e+00 -4.145266976e+00 -4.354236267e+00 2.56 -3.437535850e+00 -4.109179349e+00 -4.320857333e+00 2.58 -3.363350973e+00 -4.069028694e+00 -4.283985062e+00 2.60 -3.288638681e+00 -4.024774126e+00 -4.244197564e+00 2.62 -3.213578607e+00 -3.976294218e+00 -4.201931607e+00 2.64 -3.138343398e+00 -3.923496222e+00 -4.157241501e+00 2.66 -3.063098189e+00 -3.866351377e+00 -4.110163293e+00 2.68 -2.987966826e+00 -3.805247569e+00 -4.060731987e+00 2.70 -2.913063412e+00 -3.740690922e+00 -4.008969350e+00 2.72 -2.838447130e+00 -3.673977799e+00 -3.954878050e+00 2.74 -2.764147252e+00 -3.605763147e+00 -3.898435877e+00 2.76 -2.690190551e+00 -3.536313909e+00 -3.839588979e+00 2.78 -2.616595750e+00 -3.465893664e+00 -3.778732520e+00 2.80 -2.543410297e+00 -3.394762617e+00 -3.716420253e+00 2.82 -2.470732409e+00 -3.323181204e+00 -3.652702509e+00 2.84 -2.398655354e+00 -3.251410921e+00 -3.587644129e+00 2.86 -2.327261292e+00 -3.179714713e+00 -3.521305891e+00 2.88 -2.256620380e+00 -3.108357622e+00 -3.453744037e+00 2.90 -2.186789659e+00 -3.037602761e+00 -3.385019094e+00 2.92 -2.117811304e+00 -2.967715997e+00 -3.315293280e+00 2.94 -2.049711015e+00 -2.898902994e+00 -3.244793145e+00 2.96 -1.982495100e+00 -2.830639248e+00 -3.173741141e+00 2.98 -1.916420151e+00 -2.762869512e+00 -3.102353857e+00 3.00 -1.852068827e+00 -2.695740047e+00 -3.030833079e+00 3.02 -1.789532246e+00 -2.629382681e+00 -2.959354699e+00 3.04 -1.728881409e+00 -2.563890496e+00 -2.888042884e+00 3.06 -1.670183139e+00 -2.499312741e+00 -2.817005264e+00 3.08 -1.613496766e+00 -2.435657760e+00 -2.746344615e+00 3.10 -1.558874892e+00 -2.372924454e+00 -2.676158711e+00 3.12 -1.506366688e+00 -2.311103662e+00 -2.606540313e+00 3.14 -1.456015910e+00 -2.250177514e+00 -2.537577221e+00 3.16 -1.407808116e+00 -2.190118846e+00 -2.469351935e+00 3.18 -1.361667152e+00 -2.130889951e+00 -2.401941793e+00 3.20 -1.317511325e+00 -2.072441543e+00 -2.335413989e+00 3.22 -1.275256274e+00 -2.014727507e+00 -2.269820481e+00 3.24 -1.234815218e+00 -1.957880159e+00 -2.205205961e+00 3.26 -1.196099076e+00 -1.902253052e+00 -2.141608495e+00 3.28 -1.159016603e+00 -1.847895541e+00 -2.079059070e+00 3.30 -1.123474482e+00 -1.794794841e+00 -2.017581040e+00 3.32 -1.089377476e+00 -1.742934986e+00 -1.957191223e+00 3.34 -1.056628640e+00 -1.692296982e+00 -1.898292022e+00 3.36 -1.025129144e+00 -1.642858989e+00 -1.841224809e+00 3.38 -9.947785336e-01 -1.594596428e+00 -1.786072538e+00 3.40 -9.654748563e-01 -1.547482087e+00 -1.732803576e+00 3.42 -9.371147626e-01 -1.501486214e+00 -1.681112349e+00 3.44 -9.095935678e-01 -1.456576713e+00 -1.631010483e+00 3.46 -8.828053549e-01 -1.412719205e+00 -1.582534250e+00 3.48 -8.566430933e-01 -1.369884066e+00 -1.535717845e+00 3.50 -8.309987332e-01 -1.328090975e+00 -1.490593497e+00 3.52 -8.057632956e-01 -1.287371594e+00 -1.447177288e+00 3.54 -7.808272541e-01 -1.247717986e+00 -1.405426779e+00 3.56 -7.560802418e-01 -1.209110979e+00 -1.365283594e+00 3.58 -7.314112036e-01 -1.171529690e+00 -1.326687725e+00 3.60 -7.067429059e-01 -1.134951638e+00 -1.289577508e+00 3.62 -6.820949513e-01 -1.099352853e+00 -1.253889710e+00 3.64 -6.575040078e-01 -1.064707800e+00 -1.219559620e+00 3.66 -6.330067270e-01 -1.030992685e+00 -1.186521090e+00 3.68 -6.086399069e-01 -9.981911383e-01 -1.154706558e+00 3.70 -5.844406804e-01 -9.662875483e-01 -1.124047123e+00 3.72 -5.604466330e-01 -9.352657479e-01 -1.094472575e+00 3.74 -5.366960037e-01 -9.051090782e-01 -1.065911553e+00 3.76 -5.132281218e-01 -8.758005037e-01 -1.038291326e+00 3.78 -4.900923054e-01 -8.473227007e-01 -1.011538380e+00 3.80 -4.673630720e-01 -8.196581508e-01 -9.855783216e-01 3.82 -4.451223719e-01 -7.927894547e-01 -9.603356506e-01 3.84 -4.234568842e-01 -7.666990032e-01 -9.357337392e-01 3.86 -4.024585667e-01 -7.413693611e-01 -9.116948732e-01 3.88 -3.822258096e-01 -7.167834901e-01 -8.881402697e-01 3.90 -3.628607766e-01 -6.929248292e-01 -8.649900980e-01 3.92 -3.443807628e-01 -6.697662983e-01 -8.421635085e-01 3.94 -3.262712116e-01 -6.472523840e-01 -8.195786112e-01 3.96 -3.084735565e-01 -6.253240691e-01 -7.971526693e-01 3.98 -2.910404413e-01 -6.039237215e-01 -7.748020105e-01 4.00 -2.740330065e-01 -5.829953963e-01 -7.524417356e-01 4.02 -2.574937872e-01 -5.624971521e-01 -7.300037433e-01 4.04 -2.414166371e-01 -5.424366891e-01 -7.074898621e-01 4.06 -2.256995105e-01 -5.228361248e-01 -6.849186178e-01 4.08 -2.110188928e-01 -5.037214355e-01 -6.623075660e-01 4.10 -1.977349171e-01 -4.851214452e-01 -6.396732366e-01 4.12 -1.838831782e-01 -4.670704382e-01 -6.170311140e-01 4.14 -1.680264801e-01 -4.496055125e-01 -5.943955416e-01 4.16 -1.500692253e-01 -4.326695333e-01 -5.717796334e-01 4.18 -1.320601785e-01 -4.158930676e-01 -5.491952802e-01 4.20 -1.157280008e-01 -3.992320797e-01 -5.266529707e-01 4.22 -1.018939412e-01 -3.826854469e-01 -5.041654622e-01 4.24 -9.080863901e-02 -3.662601209e-01 -4.817614744e-01 4.26 -8.243454274e-02 -3.499531859e-01 -4.594733307e-01 4.28 -7.665765164e-02 -3.337646385e-01 -4.373333848e-01 4.30 -7.266736929e-02 -3.176996990e-01 -4.153744921e-01 4.32 -6.897008685e-02 -3.017712686e-01 -3.936286003e-01 4.34 -6.551187920e-02 -2.859810335e-01 -3.721285127e-01 4.36 -6.227597986e-02 -2.703320638e-01 -3.509013060e-01 4.38 -5.924490589e-02 -2.548486761e-01 -3.299924742e-01 4.40 -5.638912898e-02 -2.395640781e-01 -3.094527426e-01 4.42 -5.366864480e-02 -2.245015768e-01 -2.892856377e-01 4.44 -5.107790882e-02 -2.097171078e-01 -2.694983527e-01 4.46 -4.860933916e-02 -1.951142654e-01 -2.501305832e-01 4.48 -4.625235238e-02 -1.808295880e-01 -2.311906977e-01 4.50 -4.400395402e-02 -1.672030824e-01 -2.126916514e-01 4.52 -4.187255017e-02 -1.545554942e-01 -1.945706214e-01 4.54 -3.986572185e-02 -1.425552819e-01 -1.769118849e-01 4.56 -3.798967587e-02 -1.303132729e-01 -1.603202795e-01 4.58 -3.624958475e-02 -1.173362720e-01 -1.452400687e-01 4.60 -3.464988815e-02 -1.034419947e-01 -1.303522043e-01 4.62 -3.319456210e-02 -8.895811770e-02 -1.143827156e-01 4.64 -3.188736067e-02 -7.489818462e-02 -9.701285758e-02 4.66 -3.073203453e-02 -6.199709362e-02 -7.921976562e-02 4.68 -2.973253049e-02 -5.070125931e-02 -6.270455264e-02 4.70 -2.889317482e-02 -4.124501205e-02 -4.848703132e-02 4.72 -2.821884279e-02 -3.371753665e-02 -3.705563730e-02 4.74 -2.771511626e-02 -2.812096420e-02 -2.855880761e-02 4.76 -2.738843092e-02 -2.441979899e-02 -2.296674164e-02 4.78 -2.724621153e-02 -2.258121854e-02 -2.020231819e-02 4.80 -2.726658873e-02 -2.234692191e-02 -1.985080166e-02 4.82 -2.729730094e-02 -2.238869067e-02 -1.991345480e-02 4.84 -2.731783441e-02 -2.250482438e-02 -2.008765537e-02 4.86 -2.733023822e-02 -2.268434508e-02 -2.035693641e-02 4.88 -2.733656144e-02 -2.291627481e-02 -2.070483101e-02 4.90 -2.733885315e-02 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