# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Mo # implementation = 2017--Kim-J-S--Pt-Mo--LAMMPS--ipr1 # composition = Mo # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 3.824879392e+02 nan nan nan nan 0.74 nan nan nan nan nan 3.614866163e+02 nan nan nan nan 0.76 nan nan nan nan nan 3.415428226e+02 nan nan 6.881347501e+02 nan 0.78 nan nan nan nan nan 3.226060538e+02 nan nan 6.630401408e+02 nan 0.80 nan nan nan nan nan 3.046281295e+02 nan nan 6.378011997e+02 nan 0.82 nan nan nan nan nan 2.875630889e+02 nan nan 6.125056694e+02 nan 0.84 nan 9.472058652e+02 nan nan nan 2.713670913e+02 6.734354349e+02 nan 5.872492762e+02 4.782290919e+02 0.86 nan 8.895961044e+02 nan nan nan 2.559983208e+02 6.341366462e+02 nan 5.621300394e+02 4.518883192e+02 0.88 nan 8.352641651e+02 nan nan nan 2.414168957e+02 5.969808000e+02 nan 5.372439370e+02 4.268864650e+02 0.90 nan 7.840312893e+02 nan nan nan 2.275847813e+02 5.618556250e+02 nan 5.126817449e+02 4.031587315e+02 0.92 nan 7.357281821e+02 9.333823489e+02 nan nan 2.144657070e+02 5.286545830e+02 8.739862529e+02 4.885268630e+02 3.806433556e+02 0.94 8.706134719e+02 6.901945220e+02 8.808692346e+02 8.706059880e+02 8.705985040e+02 2.020250870e+02 4.972765810e+02 8.262836136e+02 4.648539508e+02 3.592814703e+02 0.96 8.239971385e+02 6.472784961e+02 8.311191320e+02 8.239895009e+02 8.239818633e+02 1.902299441e+02 4.676256980e+02 7.810046532e+02 4.417282068e+02 3.390169716e+02 0.98 7.797034657e+02 6.068363585e+02 7.839926585e+02 7.796956719e+02 7.796878781e+02 1.790488374e+02 4.396109250e+02 7.380318492e+02 4.192051455e+02 3.197963924e+02 1.00 7.376220413e+02 5.687320116e+02 7.393572616e+02 7.376140887e+02 7.376061361e+02 1.684517929e+02 4.131459177e+02 6.972531891e+02 3.973307453e+02 3.015687807e+02 1.02 6.976475267e+02 5.328366088e+02 6.970868907e+02 6.976394127e+02 6.976312987e+02 1.584102373e+02 3.881487625e+02 6.585619183e+02 3.761418607e+02 2.842855846e+02 1.04 6.596794295e+02 4.990281771e+02 6.570616856e+02 6.596711515e+02 6.596628736e+02 1.488969346e+02 3.645417528e+02 6.218563002e+02 3.556668134e+02 2.679005419e+02 1.06 6.236218866e+02 4.671912592e+02 6.191676785e+02 6.236134421e+02 6.236049975e+02 1.398859254e+02 3.422511773e+02 5.870393861e+02 3.359260922e+02 2.523695749e+02 1.08 5.893834565e+02 4.372165741e+02 5.832965114e+02 5.893748427e+02 5.893662289e+02 1.313524692e+02 3.212071186e+02 5.540187958e+02 3.169331104e+02 2.376506895e+02 1.10 5.568769209e+02 4.090006941e+02 5.493451655e+02 5.568681352e+02 5.568593495e+02 1.232729891e+02 3.013432615e+02 5.227065088e+02 2.986949792e+02 2.237038795e+02 1.12 5.260190947e+02 3.824457401e+02 5.172157046e+02 5.260101344e+02 5.260011742e+02 1.156250187e+02 2.825967116e+02 4.930186632e+02 2.812132694e+02 2.104910349e+02 1.14 4.967306450e+02 3.574590903e+02 4.868150297e+02 4.967215075e+02 4.967123700e+02 1.083871519e+02 2.649078218e+02 4.648753653e+02 2.644847410e+02 1.979758543e+02 1.16 4.689359173e+02 3.339531057e+02 4.580546460e+02 4.689265999e+02 4.689172825e+02 1.015389945e+02 2.482200287e+02 4.382005067e+02 2.485020278e+02 1.861237614e+02 1.18 4.425627698e+02 3.118448687e+02 4.308504399e+02 4.425532698e+02 4.425437698e+02 9.506111782e+01 2.324796962e+02 4.129215901e+02 2.332542693e+02 1.749018254e+02 1.20 4.175424151e+02 2.910559354e+02 4.051224682e+02 4.175327298e+02 4.175230446e+02 8.893501500e+01 2.176359672e+02 3.889695626e+02 2.187276852e+02 1.642786845e+02 1.22 3.938092682e+02 2.715121007e+02 3.807947552e+02 3.937993950e+02 3.937895219e+02 8.314305857e+01 2.036406230e+02 3.662786571e+02 2.049060934e+02 1.542244735e+02 1.24 3.713008022e+02 2.531431750e+02 3.577951015e+02 3.712907385e+02 3.712806747e+02 7.766846032e+01 1.904479491e+02 3.447862400e+02 1.917713714e+02 1.447107543e+02 1.26 3.499574096e+02 2.358827733e+02 3.360549004e+02 3.499471526e+02 3.499368955e+02 7.249523281e+01 1.780146085e+02 3.244326665e+02 1.793038636e+02 1.357104497e+02 1.28 3.297222698e+02 2.196681143e+02 3.155089638e+02 3.297118169e+02 3.297013639e+02 6.760815263e+01 1.662995202e+02 3.051611423e+02 1.674827391e+02 1.271977804e+02 1.30 3.105412231e+02 2.044398305e+02 2.960953562e+02 3.105305715e+02 3.105199200e+02 6.299272531e+01 1.552637454e+02 2.869175910e+02 1.562863031e+02 1.191482040e+02 1.32 2.923626494e+02 1.901417876e+02 2.777552362e+02 2.923517966e+02 2.923409438e+02 5.863515175e+01 1.448703776e+02 2.696505284e+02 1.456922656e+02 1.115383581e+02 1.34 2.751373529e+02 1.767209135e+02 2.604327065e+02 2.751262963e+02 2.751152396e+02 5.452229619e+01 1.350844395e+02 2.533109418e+02 1.356779726e+02 1.043460050e+02 1.36 2.588184517e+02 1.641270362e+02 2.440746701e+02 2.588071887e+02 2.587959256e+02 5.064165567e+01 1.258727845e+02 2.378521747e+02 1.262206037e+02 9.754997928e+01 1.38 2.433612724e+02 1.523127300e+02 2.286306937e+02 2.433498004e+02 2.433383283e+02 4.698133072e+01 1.172040036e+02 2.232298178e+02 1.172973387e+02 9.113013766e+01 1.40 2.287232492e+02 1.412331698e+02 2.140528780e+02 2.287115656e+02 2.286998819e+02 4.352999751e+01 1.090483359e+02 2.094016034e+02 1.088854986e+02 8.506731132e+01 1.42 2.148638276e+02 1.308459925e+02 2.002957334e+02 2.148519299e+02 2.148400321e+02 4.027688118e+01 1.013775852e+02 1.963273059e+02 1.009626627e+02 7.934326023e+01 1.44 2.017443723e+02 1.211111663e+02 1.873160628e+02 2.017322580e+02 2.017201437e+02 3.721173039e+01 9.416503912e+01 1.839686459e+02 9.350676569e+01 7.394062962e+01 1.46 1.893280797e+02 1.119908663e+02 1.750728486e+02 1.893157464e+02 1.893034131e+02 3.432479299e+01 8.738539373e+01 1.722891996e+02 8.649617677e+01 6.884290852e+01 1.48 1.775798935e+02 1.034493566e+02 1.635271464e+02 1.775673388e+02 1.775547840e+02 3.160679285e+01 8.101468099e+01 1.612543113e+02 7.990976387e+01 6.403439004e+01 1.50 1.664664244e+02 9.545287917e+01 1.526419832e+02 1.664536460e+02 1.664408675e+02 2.904890768e+01 7.503020024e+01 1.508310108e+02 7.372694442e+01 5.950013366e+01 1.52 1.559558741e+02 8.796954723e+01 1.423822600e+02 1.559428695e+02 1.559298650e+02 2.664274790e+01 6.941045312e+01 1.409879342e+02 6.792772488e+01 5.522592906e+01 1.54 1.460179612e+02 8.096924563e+01 1.327146605e+02 1.460047284e+02 1.459914955e+02 2.438033642e+01 6.413508171e+01 1.316952478e+02 6.249273061e+01 5.119826178e+01 1.56 1.366238520e+02 7.442353546e+01 1.236075626e+02 1.366103887e+02 1.365969254e+02 2.225408939e+01 5.918480981e+01 1.229245768e+02 5.740322735e+01 4.740428034e+01 1.58 1.277460935e+02 6.830556410e+01 1.150309554e+02 1.277323976e+02 1.277187017e+02 2.025679781e+01 5.454138721e+01 1.146489359e+02 5.264113577e+01 4.383176493e+01 1.60 1.193585493e+02 6.258997981e+01 1.069563591e+02 1.193446188e+02 1.193306882e+02 1.838160995e+01 5.018753671e+01 1.068426637e+02 4.818903997e+01 4.046909753e+01 1.62 1.114363390e+02 5.725285084e+01 9.935675018e+01 1.114221719e+02 1.114080049e+02 1.662201460e+01 4.610690392e+01 9.948136044e+01 4.403019099e+01 3.730523340e+01 1.64 1.039557801e+02 5.227158883e+01 9.220648844e+01 1.039413746e+02 1.039269691e+02 1.497182514e+01 4.228400949e+01 9.254182791e+01 4.014850599e+01 3.432967387e+01 1.66 9.689433211e+01 4.762487615e+01 8.548124913e+01 9.687968643e+01 9.686504075e+01 1.342516419e+01 3.870420383e+01 8.600201259e+01 3.652856394e+01 3.153244045e+01 1.68 9.023054375e+01 4.329259717e+01 7.915795748e+01 9.021565623e+01 9.020076870e+01 1.197644915e+01 3.535362412e+01 7.984095125e+01 3.315559832e+01 2.890405004e+01 1.70 8.394400221e+01 3.925577303e+01 7.321472666e+01 8.392887128e+01 8.391374035e+01 1.062037829e+01 3.221915344e+01 7.403871913e+01 3.001548730e+01 2.643549137e+01 1.72 7.801528474e+01 3.549649994e+01 6.763079872e+01 7.799990898e+01 7.798453322e+01 9.351917491e+00 2.928838209e+01 6.857638042e+01 2.709474192e+01 2.411820249e+01 1.74 7.242591257e+01 3.199789069e+01 6.238648843e+01 7.241029067e+01 7.239466877e+01 8.166287663e+00 2.654957070e+01 6.343594114e+01 2.438049263e+01 2.194404932e+01 1.76 6.715830671e+01 2.874401930e+01 5.746312976e+01 6.714243750e+01 6.712656829e+01 7.058952680e+00 2.399161543e+01 5.860030414e+01 2.186047441e+01 1.990530515e+01 1.78 6.219574596e+01 2.571986853e+01 5.284302506e+01 6.217962841e+01 6.216351086e+01 6.025607920e+00 2.160401474e+01 5.405322616e+01 1.952301083e+01 1.799463118e+01 1.80 5.752232666e+01 2.291128024e+01 4.850939665e+01 5.750595990e+01 5.748959314e+01 5.062169328e+00 1.937683798e+01 4.977927698e+01 1.735699733e+01 1.620505788e+01 1.82 5.312292437e+01 2.030490831e+01 4.444634077e+01 5.310630769e+01 5.308969101e+01 4.164762991e+00 1.730069555e+01 4.576380034e+01 1.535188375e+01 1.452996725e+01 1.84 4.898315727e+01 1.788817414e+01 4.063878380e+01 4.896629014e+01 4.894942300e+01 3.329715212e+00 1.536671054e+01 4.199287682e+01 1.349765640e+01 1.296307592e+01 1.86 4.508935119e+01 1.564922446e+01 3.707244058e+01 4.507223325e+01 4.505511531e+01 2.553543050e+00 1.356649189e+01 3.845328830e+01 1.178481991e+01 1.149841901e+01 1.88 4.142850628e+01 1.357689140e+01 3.373377483e+01 4.141113738e+01 4.139376848e+01 1.832945316e+00 1.189210882e+01 3.513248420e+01 1.020437867e+01 1.013033476e+01 1.90 3.798826518e+01 1.166065472e+01 3.060996141e+01 3.797064539e+01 3.795302559e+01 1.164793996e+00 1.033606670e+01 3.201854925e+01 8.747818390e+00 8.853449884e+00 1.92 3.475688268e+01 9.890605970e+00 2.768885051e+01 3.473901226e+01 3.472114184e+01 5.461260950e-01 8.891284048e+00 2.910017272e+01 7.407087511e+00 7.662665584e+00 1.94 3.172319669e+01 8.257414699e+00 2.495893356e+01 3.170507616e+01 3.168695562e+01 -2.586413041e-02 7.551070744e+00 2.636661919e+01 6.174578751e+00 6.553144245e+00 1.96 2.887660060e+01 6.752296340e+00 2.240931079e+01 2.885823072e+01 2.883986083e+01 -5.538325496e-01 6.309107363e+00 2.380770058e+01 5.043110815e+00 5.520296740e+00 1.98 2.620701695e+01 5.366981903e+00 2.002966043e+01 2.618839873e+01 2.616978051e+01 -1.040292176e+00 5.159425571e+00 2.141374960e+01 4.005910296e+00 4.559770332e+00 2.00 2.370487216e+01 4.093689259e+00 1.781020940e+01 2.368600690e+01 2.366714165e+01 -1.487619833e+00 4.096389519e+00 1.917559435e+01 3.056593867e+00 3.667437149e+00 2.02 2.136107260e+01 2.925095974e+00 1.574170541e+01 2.134196191e+01 2.132285121e+01 -1.898062483e+00 3.114678201e+00 1.708453416e+01 2.189150778e+00 2.839383199e+00 2.04 1.916698166e+01 1.854313609e+00 1.381539050e+01 1.914762742e+01 1.912827318e+01 -2.273743233e+00 2.209268719e+00 1.513231662e+01 1.397925714e+00 2.071897896e+00 2.06 1.711439787e+01 8.748634001e-01 1.202297584e+01 1.709480231e+01 1.707520675e+01 -2.616667029e+00 1.375420408e+00 1.331111554e+01 6.776020524e-01 1.361464092e+00 2.08 1.519553406e+01 -1.934674478e-02 1.035661777e+01 1.517569975e+01 1.515586543e+01 -2.928726056e+00 6.086597868e-01 1.161351016e+01 2.318553457e-02 7.047485690e-01 2.10 1.340299752e+01 -8.340440073e-01 8.808895049e+00 1.338292738e+01 1.336285724e+01 -3.211704849e+00 -9.523372441e-02 1.003246514e+01 -5.700116091e-01 9.859298681e-02 2.12 1.172977098e+01 -1.574611241e+00 7.372787230e+00 1.170946833e+01 1.168916568e+01 -3.467285128e+00 -7.402413362e-01 8.561311640e+00 -1.106386067e+00 -4.599947446e-01 2.14 1.016919459e+01 -2.246106438e+00 6.041654070e+00 1.014866313e+01 1.012813167e+01 -3.697050376e+00 -1.330117729e+00 7.193729243e+00 -1.590058366e+00 -9.738486810e-01 2.16 8.714948602e+00 -2.853281137e+00 4.809216001e+00 8.694192473e+00 8.673436345e+00 -3.902490160e+00 -1.868403222e+00 5.923728719e+00 -2.024887300e+00 -1.445652671e+00 2.18 7.361037006e+00 -3.400597833e+00 3.669535553e+00 7.340060781e+00 7.319084556e+00 -4.085004222e+00 -2.358435318e+00 4.745635643e+00 -2.414483836e+00 -1.877947813e+00 2.20 6.101771795e+00 -3.892246430e+00 2.616999706e+00 6.080580516e+00 6.059389237e+00 -4.245906339e+00 -2.803359634e+00 3.654074773e+00 -2.762224521e+00 -2.273139551e+00 2.22 4.931758045e+00 -4.332159811e+00 1.646303115e+00 4.910357244e+00 4.888956443e+00 -4.386427976e+00 -3.206140281e+00 2.643955187e+00 -3.071264355e+00 -2.633504442e+00 2.24 3.845879655e+00 -4.724028539e+00 7.524321767e-01 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