# 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 = CoMo3 # 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 3.045734054e+02 nan nan 1.16 2.791907477e+02 nan nan 1.18 2.559577118e+02 nan nan 1.20 2.346681742e+02 nan nan 1.22 2.151375696e+02 nan nan 1.24 1.971996198e+02 nan nan 1.26 1.807048348e+02 nan nan 1.28 1.655205999e+02 2.619267956e+02 3.026703416e+02 1.30 1.515318179e+02 2.418141873e+02 2.800014696e+02 1.32 1.386404323e+02 2.232655083e+02 2.590300877e+02 1.34 1.267627004e+02 2.061398726e+02 2.396066737e+02 1.36 1.158249075e+02 1.903054614e+02 2.216026458e+02 1.38 1.057593253e+02 1.756418849e+02 2.049080421e+02 1.40 9.650162264e+01 1.620426634e+02 1.894266675e+02 1.42 8.798970917e+01 1.494161496e+02 1.750715188e+02 1.44 8.016343807e+01 1.376842648e+02 1.617619539e+02 1.46 7.296482199e+01 1.267799241e+02 1.494224193e+02 1.48 6.633866071e+01 1.166445139e+02 1.379819299e+02 1.50 6.023348425e+01 1.072260948e+02 1.273736143e+02 1.52 5.460260853e+01 9.847822327e+01 1.175342138e+02 1.54 4.940494581e+01 9.035908151e+01 1.084038502e+02 1.56 4.460523859e+01 8.283068876e+01 9.992627704e+01 1.58 4.017366703e+01 7.585802303e+01 9.204948330e+01 1.60 3.608499800e+01 6.940801991e+01 8.472628162e+01 1.62 3.231746208e+01 6.344859420e+01 7.791449237e+01 1.64 2.885177231e+01 5.794790467e+01 7.157657805e+01 1.66 2.567658241e+01 5.287402332e+01 6.567893379e+01 1.68 2.277696958e+01 4.819503243e+01 6.019119041e+01 1.70 2.013459988e+01 4.387941470e+01 5.508573814e+01 1.72 1.773041849e+01 3.989652729e+01 5.033744963e+01 1.74 1.554536534e+01 3.621702796e+01 4.592348267e+01 1.76 1.356067339e+01 3.281325754e+01 4.182306056e+01 1.78 1.175814465e+01 2.965963655e+01 3.801716590e+01 1.80 1.012031981e+01 2.673711534e+01 3.448813312e+01 1.82 8.630558118e+00 2.403105780e+01 3.121919214e+01 1.84 7.273126828e+00 2.152420444e+01 2.819461721e+01 1.86 6.033397960e+00 1.920123896e+01 2.540446796e+01 1.88 4.898151982e+00 1.704936214e+01 2.283416179e+01 1.90 3.855870778e+00 1.505779948e+01 2.046813541e+01 1.92 2.896877269e+00 1.321715809e+01 1.829060604e+01 1.94 2.013263091e+00 1.151884491e+01 1.628593647e+01 1.96 1.198648183e+00 9.954650835e+00 1.443890907e+01 1.98 4.478605467e-01 8.516517738e+00 1.273487106e+01 2.00 -2.433868864e-01 7.196440941e+00 1.115998403e+01 2.02 -8.787757125e-01 5.986442166e+00 9.701556241e+00 2.04 -1.461598337e+00 4.878566044e+00 8.348370925e+00 2.06 -1.994910024e+00 3.864887279e+00 7.090905291e+00 2.08 -2.481626508e+00 2.937544873e+00 5.921369492e+00 2.10 -2.924581471e+00 2.088826647e+00 4.833557845e+00 2.12 -3.326557204e+00 1.311310153e+00 3.822561680e+00 2.14 -3.690296384e+00 5.980394091e-01 2.884419769e+00 2.16 -4.018496235e+00 -5.730285636e-02 2.015776497e+00 2.18 -4.313783704e+00 -6.602709934e-01 1.213594796e+00 2.20 -4.578675396e+00 -1.215609918e+00 4.749468244e-01 2.22 -4.815535025e+00 -1.727291839e+00 -2.031126474e-01 2.24 -5.026543614e+00 -2.198618318e+00 -8.235988014e-01 2.26 -5.213689106e+00 -2.632356594e+00 -1.389595759e+00 2.28 -5.378770321e+00 -3.030879061e+00 -1.904229577e+00 2.30 -5.523405318e+00 -3.396283931e+00 -2.370639990e+00 2.32 -5.649037209e+00 -3.730486645e+00 -2.791963674e+00 2.34 -5.756935948e+00 -4.035281015e+00 -3.171328989e+00 2.36 -5.848088722e+00 -4.312374646e+00 -3.511855034e+00 2.38 -5.923080432e+00 -4.563405495e+00 -3.816646859e+00 2.40 -5.983057955e+00 -4.789946373e+00 -4.088780498e+00 2.42 -6.029035590e+00 -4.993502864e+00 -4.331274446e+00 2.44 -6.061832655e+00 -5.175508337e+00 -4.547047735e+00 2.46 -6.082112649e+00 -5.337318002e+00 -4.738868583e+00 2.48 -6.090428617e+00 -5.480202932e+00 -4.909300927e+00 2.50 -6.087301989e+00 -5.605344891e+00 -5.060657970e+00 2.52 -6.072932905e+00 -5.713833373e+00 -5.194971473e+00 2.54 -6.046800799e+00 -5.806666450e+00 -5.313982679e+00 2.56 -6.008387851e+00 -5.884635460e+00 -5.419155836e+00 2.58 -5.957346062e+00 -5.948368905e+00 -5.511710055e+00 2.60 -5.893481948e+00 -5.998835940e+00 -5.592661735e+00 2.62 -5.816744031e+00 -6.037063495e+00 -5.662828060e+00 2.64 -5.727214661e+00 -6.063963641e+00 -5.722591239e+00 2.66 -5.625068360e+00 -6.080344920e+00 -5.772847050e+00 2.68 -5.510592026e+00 -6.086930789e+00 -5.814525332e+00 2.70 -5.384263712e+00 -6.084381787e+00 -5.848438674e+00 2.72 -5.246783513e+00 -6.073273453e+00 -5.875307406e+00 2.74 -5.099099133e+00 -6.053775747e+00 -5.895776666e+00 2.76 -4.942418033e+00 -6.025836949e+00 -5.910427847e+00 2.78 -4.778196137e+00 -5.989357407e+00 -5.919793554e+00 2.80 -4.608097116e+00 -5.944316291e+00 -5.924287555e+00 2.82 -4.433922474e+00 -5.890784630e+00 -5.923801151e+00 2.84 -4.257519147e+00 -5.828916155e+00 -5.918149313e+00 2.86 -4.080676328e+00 -5.758942796e+00 -5.907205053e+00 2.88 -3.905025827e+00 -5.681134004e+00 -5.890872721e+00 2.90 -3.731960118e+00 -5.595759684e+00 -5.869062283e+00 2.92 -3.562579300e+00 -5.503176590e+00 -5.841667032e+00 2.94 -3.397672951e+00 -5.403837594e+00 -5.808547555e+00 2.96 -3.237736353e+00 -5.298283057e+00 -5.769519384e+00 2.98 -3.083014551e+00 -5.187124076e+00 -5.724315495e+00 3.00 -2.933563666e+00 -5.071017251e+00 -5.672618825e+00 3.02 -2.789317599e+00 -4.950632408e+00 -5.614101302e+00 3.04 -2.650149390e+00 -4.826616441e+00 -5.548436941e+00 3.06 -2.515919407e+00 -4.699557710e+00 -5.475314970e+00 3.08 -2.386506193e+00 -4.569955767e+00 -5.394451826e+00 3.10 -2.261819456e+00 -4.438200657e+00 -5.305601226e+00 3.12 -2.141797819e+00 -4.304564402e+00 -5.208561989e+00 3.14 -2.026396063e+00 -4.169205193e+00 -5.103183820e+00 3.16 -1.915567553e+00 -4.032182782e+00 -4.989371666e+00 3.18 -1.809247235e+00 -3.893482250e+00 -4.867089709e+00 3.20 -1.707339388e+00 -3.753042924e+00 -4.736366249e+00 3.22 -1.609712470e+00 -3.610789623e+00 -4.597300774e+00 3.24 -1.516201564e+00 -3.466664055e+00 -4.450074237e+00 3.26 -1.426617345e+00 -3.320654925e+00 -4.294963023e+00 3.28 -1.340759494e+00 -3.172825609e+00 -4.132356316e+00 3.30 -1.258432070e+00 -3.023338365e+00 -3.962775650e+00 3.32 -1.179458407e+00 -2.872473814e+00 -3.786894453e+00 3.34 -1.103693506e+00 -2.720644183e+00 -3.605554557e+00 3.36 -1.031032477e+00 -2.568398641e+00 -3.419776121e+00 3.38 -9.614142110e-01 -2.416419185e+00 -3.230757360e+00 3.40 -8.948200896e-01 -2.265506018e+00 -3.039861063e+00 3.42 -8.312681282e-01 -2.116552298e+00 -2.848586145e+00 3.44 -7.708034224e-01 -1.970509348e+00 -2.658524326e+00 3.46 -7.134861390e-01 -1.828344716e+00 -2.471304146e+00 3.48 -6.593785052e-01 -1.690996641e+00 -2.288526639e+00 3.50 -6.085322605e-01 -1.559329187e+00 -2.111698493e+00 3.52 -5.609778668e-01 -1.434092322e+00 -1.942169264e+00 3.54 -5.167164418e-01 -1.315890644e+00 -1.781078843e+00 3.56 -4.757149429e-01 -1.205163215e+00 -1.629320017e+00 3.58 -4.379046795e-01 -1.102175487e+00 -1.487518903e+00 3.60 -4.031828309e-01 -1.007022804e+00 -1.356033611e+00 3.62 -3.714163609e-01 -9.196436941e-01 -1.234969270e+00 3.64 -3.424475720e-01 -8.398404256e-01 -1.124205907e+00 3.66 -3.161005225e-01 -7.673039450e-01 -1.023434777e+00 3.68 -2.921875282e-01 -7.016404974e-01 -9.321987246e-01 3.70 -2.705154197e-01 -6.423976426e-01 -8.499326679e-01 3.72 -2.508913275e-01 -5.890879957e-01 -7.760012780e-01 3.74 -2.331267895e-01 -5.412096442e-01 -7.097319122e-01 3.76 -2.170412517e-01 -4.982627630e-01 -6.504418447e-01 3.78 -2.024645728e-01 -4.597623865e-01 -5.974595817e-01 3.80 -1.892386181e-01 -4.252476098e-01 -5.501405953e-01 3.82 -1.772180900e-01 -3.942876745e-01 -5.078781262e-01 3.84 -1.662707481e-01 -3.664854739e-01 -4.701098647e-01 3.86 -1.562771668e-01 -3.414790207e-01 -4.363213423e-01 3.88 -1.471301614e-01 -3.189413820e-01 -4.060468158e-01 3.90 -1.387339941e-01 -2.985795174e-01 -3.788683281e-01 3.92 -1.310034490e-01 -2.801323843e-01 -3.544135159e-01 3.94 -1.238628450e-01 -2.633685987e-01 -3.323526204e-01 3.96 -1.172450382e-01 -2.480838742e-01 -3.123950495e-01 3.98 -1.110904493e-01 -2.340984034e-01 -2.942857554e-01 4.00 -1.053461427e-01 -2.212543011e-01 -2.778016091e-01 4.02 -9.996497138e-02 -2.094131922e-01 -2.627479022e-01 4.04 -9.490479825e-02 -1.984539991e-01 -2.489550534e-01 4.06 -9.012780056e-02 -1.882708921e-01 -2.362755687e-01 4.08 -8.559985975e-02 -1.787715850e-01 -2.245812770e-01 4.10 -8.129004068e-02 -1.698761492e-01 -2.137608450e-01 4.12 -7.717016293e-02 -1.615154657e-01 -2.037174215e-01 4.14 -7.321446762e-02 -1.536302346e-01 -1.943669777e-01 4.16 -6.939939181e-02 -1.461701789e-01 -1.856365427e-01 4.18 -6.570344700e-02 -1.390933738e-01 -1.774625198e-01 4.20 -6.210721481e-02 -1.323656432e-01 -1.697894114e-01 4.22 -5.859346515e-02 -1.259599433e-01 -1.625687008e-01 4.24 -5.514739561e-02 -1.198556577e-01 -1.557578786e-01 4.26 -5.175698334e-02 -1.140377450e-01 -1.493195972e-01 4.28 -4.841342686e-02 -1.084956990e-01 -1.432209389e-01 4.30 -4.511162469e-02 -1.032223427e-01 -1.374327820e-01 4.32 -4.185064147e-02 -9.821252744e-02 -1.319292545e-01 4.34 -3.863406420e-02 -9.346183473e-02 -1.266872604e-01 4.36 -3.547014286e-02 -8.896541684e-02 -1.216860711e-01 4.38 -3.237161534e-02 -8.471688752e-02 -1.169069717e-01 4.40 -2.935513731e-02 -8.070817117e-02 -1.123329534e-01 4.42 -2.644028935e-02 -7.692926133e-02 -1.079484477e-01 4.44 -2.364789516e-02 -7.336805458e-02 -1.037390948e-01 4.46 -2.099877794e-02 -7.001071229e-02 -9.969154196e-02 4.48 -1.851253273e-02 -6.684215541e-02 -9.579326941e-02 4.50 -1.620536130e-02 -6.384659681e-02 -9.203243937e-02 4.52 -1.408887473e-02 -6.100803748e-02 -8.839776746e-02 4.54 -1.216940190e-02 -5.831068092e-02 -8.487841599e-02 4.56 -1.044784674e-02 -5.573924643e-02 -8.146390704e-02 4.58 -8.920048495e-03 -5.327918297e-02 -7.814405953e-02 4.60 -7.577526985e-03 -5.091679783e-02 -7.490894904e-02 4.62 -6.408459700e-03 -4.863932419e-02 -7.174889786e-02 4.64 -5.398737483e-03 -4.643494771e-02 -6.865449519e-02 4.66 -4.532972192e-03 -4.429281531e-02 -6.561665238e-02 4.68 -3.795370202e-03 -4.220304594e-02 -6.262670029e-02 4.70 -3.170427045e-03 -4.015675814e-02 -5.967653248e-02 4.72 -2.643432946e-03 -3.814612482e-02 -5.675879730e-02 4.74 -2.200803176e-03 -3.616446165e-02 -5.386713929e-02 4.76 -1.830260672e-03 -3.420634998e-02 -5.099648602e-02 4.78 -1.520903385e-03 -3.226778906e-02 -4.814337001e-02 4.80 -1.263188178e-03 -3.034636228e-02 -4.530626071e-02 4.82 -1.048859035e-03 -2.844140747e-02 -4.248589162e-02 4.84 -8.708419201e-04 -2.655415770e-02 -3.968553394e-02 4.86 -7.231231572e-04 -2.468782426e-02 -3.691117307e-02 4.88 -6.006233035e-04 -2.284758856e-02 -3.417154069e-02 4.90 -4.990744236e-04 -2.104047388e-02 -3.147795922e-02 4.92 -4.149055698e-04 -1.927507727e-02 -2.884397029e-02 4.94 -3.451390671e-04 -1.756115811e-02 -2.628474293e-02 4.96 -2.872986094e-04 -1.590891694e-02 -2.381601750e-02 4.98 -2.393291455e-04 -1.432862941e-02 -2.145355684e-02 5.00 -1.995279368e-04 -1.283017981e-02 -1.921248077e-02 5.02 -1.664858240e-04 -1.142215825e-02 -1.710591559e-02 5.04 -1.390375776e-04 -1.011134831e-02 -1.514423471e-02 5.06 -1.162201868e-04 -8.902372651e-03 -1.333453488e-02 5.08 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-7.895409561e-04 5.44 -4.648836916e-06 -4.456629262e-04 -6.677641168e-04 5.46 -3.963560128e-06 -3.769920417e-04 -5.648677764e-04 5.48 -3.382588105e-06 -3.189858723e-04 -4.779515334e-04 5.50 -2.889569799e-06 -2.699957045e-04 -4.045450003e-04 5.52 -2.470788033e-06 -2.286210287e-04 -3.425496615e-04 5.54 -2.114724435e-06 -1.936747522e-04 -2.901867365e-04 5.56 -1.811697931e-06 -1.641524319e-04 -2.459512057e-04 5.58 -1.553564095e-06 -1.392053455e-04 -2.085712841e-04 5.60 -1.333464861e-06 -1.181171179e-04 -1.769735292e-04 5.62 -1.145619973e-06 -1.002835717e-04 -1.502526177e-04 5.64 -9.851530938e-07 -8.519545050e-05 -1.276454587e-04 5.66 -8.479466571e-07 -7.242367157e-05 -1.085090981e-04 5.68 -7.305206004e-07 -6.160678400e-05 -9.230192412e-05 5.70 -6.299309690e-07 -5.244033246e-05 -7.856773094e-05 5.72 -5.436850615e-07 -4.466785907e-05 -6.692223478e-05 5.74 -4.696703449e-07 -3.807330520e-05 -5.704168858e-05 5.76 -4.060948541e-07 -3.247460491e-05 -4.865328196e-05 5.78 -3.514371804e-07 -2.771828956e-05 -4.152705628e-05 5.80 -3.044044686e-07 -2.367494780e-05 -3.546910164e-05 5.82 -2.638971013e-07 -2.023540795e-05 -3.031583619e-05 5.84 -2.289789871e-07 -1.730752907e-05 -2.592919765e-05 5.86 -1.988525412e-07 -1.481350447e-05 -2.219260262e-05 5.88 -1.728375945e-07 -1.268759605e-05 -1.900755164e-05 5.90 -1.503536010e-07 -1.087423070e-05 -1.629077666e-05 5.92 -1.309046163e-07 -9.326400676e-06 -1.397184399e-05 5.94 -1.140666028e-07 -8.004319083e-06 -1.199113972e-05 5.96 -9.947669201e-08 -6.874289622e-06 -1.029817602e-05 5.98 -8.682409456e-08 -5.907755998e-06 -8.850166731e-06 6.00 -7.584239988e-08 -5.080502177e-06 -7.610829034e-06