# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = CSi3 # 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 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 2.752607164e+03 nan nan 0.92 2.529669652e+03 nan nan 0.94 2.324078661e+03 nan nan 0.96 2.134538002e+03 nan nan 0.98 1.959845459e+03 3.136730296e+02 nan 1.00 1.798879762e+03 2.925788138e+02 nan 1.02 1.650598050e+03 2.730440934e+02 2.349854171e+03 1.04 1.514032372e+03 2.549480316e+02 2.143276236e+03 1.06 1.388285644e+03 2.381736114e+02 1.954335394e+03 1.08 1.272527343e+03 2.226102969e+02 1.781557665e+03 1.10 1.165989148e+03 2.081554800e+02 1.623587541e+03 1.12 1.067960639e+03 1.947150868e+02 1.479180355e+03 1.14 9.777851657e+02 1.822036255e+02 1.347194483e+03 1.16 8.948559013e+02 1.705438706e+02 1.226583623e+03 1.18 8.186121386e+02 1.596663330e+02 1.116389329e+03 1.20 7.485358208e+02 1.495086132e+02 1.015733900e+03 1.22 6.841483146e+02 1.400147091e+02 9.238136914e+02 1.24 6.250074175e+02 1.311343269e+02 8.398928710e+02 1.26 5.707045885e+02 1.228222211e+02 7.632976436e+02 1.28 5.208623882e+02 1.150375854e+02 6.934109257e+02 1.30 4.751321161e+02 1.077435012e+02 6.296674612e+02 1.32 4.331916282e+02 1.009064474e+02 5.715493515e+02 1.34 3.947432771e+02 9.449587124e+01 5.185819748e+02 1.36 3.595117792e+02 8.848381700e+01 4.703302669e+02 1.38 3.272424232e+02 8.284460654e+01 4.263953322e+02 1.40 2.976996297e+02 7.755456767e+01 3.864113591e+02 1.42 2.706656142e+02 7.259180368e+01 3.500428108e+02 1.44 2.459391349e+02 6.793599823e+01 3.169818678e+02 1.46 2.233343211e+02 6.356825086e+01 2.869460963e+02 1.48 2.026795775e+02 5.947093739e+01 2.596763227e+02 1.50 1.838165586e+02 5.562755326e+01 2.349346365e+02 1.52 1.665992107e+02 5.202248749e+01 2.125024309e+02 1.54 1.508928744e+02 4.864093475e+01 1.921787822e+02 1.56 1.365733887e+02 4.546887907e+01 1.737790576e+02 1.58 1.235262002e+02 4.249307807e+01 1.571336360e+02 1.60 1.116456380e+02 3.970104573e+01 1.420867292e+02 1.62 1.008342653e+02 3.708103341e+01 1.284952968e+02 1.64 9.100227568e+01 3.462200907e+01 1.162280467e+02 1.66 8.206693189e+01 3.231363456e+01 1.051645142e+02 1.68 7.395204221e+01 3.014624125e+01 9.519421568e+01 1.70 6.658747405e+01 2.811080411e+01 8.621586879e+01 1.72 5.990870119e+01 2.619891444e+01 7.813667694e+01 1.74 5.385638284e+01 2.440275174e+01 7.087167181e+01 1.76 4.837597239e+01 2.271505469e+01 6.434311004e+01 1.78 4.341735387e+01 2.112909178e+01 5.847991976e+01 1.80 3.893450445e+01 1.963863176e+01 5.321719304e+01 1.82 3.488518119e+01 1.823791407e+01 4.849571971e+01 1.84 3.123063041e+01 1.692161963e+01 4.426155893e+01 1.86 2.793531828e+01 1.568484209e+01 4.046564440e+01 1.88 2.496668105e+01 1.452305925e+01 3.706341877e+01 1.90 2.229488506e+01 1.343208246e+01 3.401446007e+01 1.92 1.989258920e+01 1.240796716e+01 3.128207169e+01 1.94 1.773468320e+01 1.144697828e+01 2.883297332e+01 1.96 1.579796546e+01 1.054557921e+01 2.663704341e+01 1.98 1.406119660e+01 9.700421528e+00 2.466707690e+01 2.00 1.250499985e+01 8.908335238e+00 2.289855618e+01 2.02 1.111171053e+01 8.166319561e+00 2.130943443e+01 2.04 9.865237499e+00 7.471534154e+00 1.987993016e+01 2.06 8.750935677e+00 6.821290789e+00 1.859233284e+01 2.08 7.755488669e+00 6.213045475e+00 1.743081928e+01 2.10 6.866800565e+00 5.644390957e+00 1.638128067e+01 2.12 6.073896182e+00 5.113049618e+00 1.543116046e+01 2.14 5.366828976e+00 4.616866735e+00 1.456930288e+01 2.16 4.736595972e+00 4.153804081e+00 1.378581227e+01 2.18 4.175059089e+00 3.721933858e+00 1.307192308e+01 2.20 3.674872329e+00 3.319432937e+00 1.241988024e+01 2.22 3.229414329e+00 2.944577388e+00 1.182282981e+01 2.24 2.832725856e+00 2.595737302e+00 1.127471938e+01 2.26 2.479451857e+00 2.271371864e+00 1.077020779e+01 2.28 2.164787739e+00 1.970024691e+00 1.030458372e+01 2.30 1.884429580e+00 1.690319400e+00 9.873692526e+00 2.32 1.634528030e+00 1.430955402e+00 9.473870750e+00 2.34 1.411645660e+00 1.190703921e+00 9.101887684e+00 2.36 1.212716360e+00 9.684009632e-01 8.754888551e+00 2.38 1.034973901e+00 7.628500741e-01 8.430207947e+00 2.40 8.759211792e-01 5.728260204e-01 8.125339713e+00 2.42 7.333453754e-01 3.971937557e-01 7.838084262e+00 2.44 6.052907401e-01 2.349076529e-01 7.566520345e+00 2.46 4.900312824e-01 8.500411939e-02 7.308970483e+00 2.48 3.860459252e-01 -5.340518044e-02 7.063970489e+00 2.50 2.919959741e-01 -1.811395279e-01 6.830242656e+00 2.52 2.067047379e-01 -2.989548337e-01 6.606672185e+00 2.54 1.291391451e-01 -4.075488515e-01 6.392286483e+00 2.56 5.839320904e-02 -5.075659481e-01 6.186237006e+00 2.58 -6.326807128e-03 -5.996014785e-01 5.987783345e+00 2.60 -6.571566599e-02 -6.842057946e-01 5.796279276e+00 2.62 -1.203810040e-01 -7.618879151e-01 5.611160574e+00 2.64 -1.708538843e-01 -8.331188921e-01 5.431934335e+00 2.66 -2.175981718e-01 -8.983348937e-01 5.258169658e+00 2.68 -2.610188447e-01 -9.579400279e-01 5.089489502e+00 2.70 -3.014693486e-01 -1.012308932e+00 4.925563577e+00 2.72 -3.392580905e-01 -1.061789143e+00 4.766102152e+00 2.74 -3.746541618e-01 -1.106703273e+00 4.610850646e+00 2.76 -4.078923757e-01 -1.147350998e+00 4.459584927e+00 2.78 -4.391776902e-01 -1.184010881e+00 4.312107214e+00 2.80 -4.686890882e-01 -1.216942049e+00 4.168242516e+00 2.82 -4.965829754e-01 -1.246385721e+00 4.027835533e+00 2.84 -5.229961516e-01 -1.272566614e+00 3.890747966e+00 2.86 -5.480484050e-01 -1.295694228e+00 3.756856184e+00 2.88 -5.718447752e-01 -1.315964025e+00 3.626049203e+00 2.90 -5.944775240e-01 -1.333558515e+00 3.498226926e+00 2.92 -6.160278499e-01 -1.348648240e+00 3.373298634e+00 2.94 -6.365673777e-01 -1.361392687e+00 3.251181668e+00 2.96 -6.561594515e-01 -1.371941121e+00 3.131800303e+00 2.98 -6.748602550e-01 -1.380433346e+00 3.015084765e+00 3.00 -6.927197824e-01 -1.387000408e+00 2.900970396e+00 3.02 -7.097826771e-01 -1.391765239e+00 2.789396929e+00 3.04 -7.260889574e-01 -1.394843244e+00 2.680307865e+00 3.06 -7.416746422e-01 -1.396342843e+00 2.573649946e+00 3.08 -7.565722906e-01 -1.396365971e+00 2.469372695e+00 3.10 -7.708114668e-01 -1.395008531e+00 2.367428031e+00 3.12 -7.844191401e-01 -1.392360814e+00 2.267769934e+00 3.14 -7.974200289e-01 -1.388507888e+00 2.170354170e+00 3.16 -8.098368956e-01 -1.383529946e+00 2.075138046e+00 3.18 -8.216908008e-01 -1.377502638e+00 1.982080212e+00 3.20 -8.330013200e-01 -1.370497367e+00 1.891140492e+00 3.22 -8.437867305e-01 -1.362581568e+00 1.802279740e+00 3.24 -8.540641704e-01 -1.353818960e+00 1.715459720e+00 3.26 -8.638497754e-01 -1.344269782e+00 1.630643009e+00 3.28 -8.731587959e-01 -1.333991009e+00 1.547792914e+00 3.30 -8.820056967e-01 -1.323036551e+00 1.466873406e+00 3.32 -8.904042426e-01 -1.311457441e+00 1.387849060e+00 3.34 -8.983675718e-01 -1.299301999e+00 1.310685014e+00 3.36 -9.059082585e-01 -1.286615998e+00 1.235346935e+00 3.38 -9.130383667e-01 -1.273442802e+00 1.161800982e+00 3.40 -9.197694963e-01 -1.259823508e+00 1.090013791e+00 3.42 -9.261128227e-01 -1.245797069e+00 1.019952455e+00 3.44 -9.320791311e-01 -1.231400412e+00 9.515845088e-01 3.46 -9.376788458e-01 -1.216668545e+00 8.848779196e-01 3.48 -9.429220559e-01 -1.201634658e+00 8.198010811e-01 3.50 -9.478185373e-01 -1.186330221e+00 7.563228069e-01 3.52 -9.523777725e-01 -1.170785069e+00 6.944123277e-01 3.54 -9.566089671e-01 -1.155027484e+00 6.340392893e-01 3.56 -9.605210650e-01 -1.139084273e+00 5.751737514e-01 3.58 -9.641227618e-01 -1.122980841e+00 5.177861877e-01 3.60 -9.674225163e-01 -1.106741255e+00 4.618474860e-01 3.62 -9.704285618e-01 -1.090388314e+00 4.073289490e-01 3.64 -9.731489148e-01 -1.073943601e+00 3.542022948e-01 3.66 -9.755913845e-01 -1.057427547e+00 3.024396584e-01 3.68 -9.777635805e-01 -1.040859476e+00 2.520135916e-01 3.70 -9.796729201e-01 -1.024257664e+00 2.028970648e-01 3.72 -9.813266350e-01 -1.007639377e+00 1.550634664e-01 3.74 -9.827317783e-01 -9.910209253e-01 1.084866038e-01 3.76 -9.838952296e-01 -9.744176978e-01 6.314070305e-02 3.78 -9.848237010e-01 -9.578442078e-01 1.900040847e-02 3.80 -9.855237427e-01 -9.413141291e-01 -2.395921785e-02 3.82 -9.860017471e-01 -9.248403330e-01 -6.576269710e-02 3.84 -9.862639547e-01 -9.084349229e-01 -1.064341352e-01 3.86 -9.863164577e-01 -8.921092677e-01 -1.459972243e-01 3.88 -9.861652047e-01 -8.758740333e-01 -1.844752449e-01 3.90 -9.858160050e-01 -8.597392127e-01 -2.218910679e-01 3.92 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-3.900260995e-01 -1.023222782e+00 4.64 -2.123444986e-01 -3.805126913e-01 -1.034041100e+00 4.66 -2.065943762e-01 -3.711860016e-01 -1.044404887e+00 4.68 -2.009866809e-01 -3.620442832e-01 -1.054324570e+00 4.70 -1.955183387e-01 -3.530857103e-01 -1.063810358e+00 4.72 -1.901863279e-01 -3.443083844e-01 -1.072872248e+00 4.74 -1.849876791e-01 -3.357103401e-01 -1.081520028e+00 4.76 -1.799194738e-01 -3.272895510e-01 -1.089763280e+00 4.78 -1.749788446e-01 -3.190439345e-01 -1.097611389e+00 4.80 -1.701629738e-01 -3.109713577e-01 -1.105073540e+00 4.82 -1.654690937e-01 -3.030696412e-01 -1.112158729e+00 4.84 -1.608944854e-01 -2.953365648e-01 -1.118875765e+00 4.86 -1.564364785e-01 -2.877698710e-01 -1.125233270e+00 4.88 -1.520924508e-01 -2.803672701e-01 -1.131239689e+00 4.90 -1.478598272e-01 -2.731264436e-01 -1.136903290e+00 4.92 -1.433547134e-01 -2.655532371e-01 -1.143473657e+00 4.94 -1.338239678e-01 -2.513790062e-01 -1.163726327e+00 4.96 -1.077080211e-01 -2.133071026e-01 -1.186504306e+00 4.98 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