# 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 = Cu3Mg # 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 1.779744395e+02 nan nan 1.16 1.628845110e+02 nan nan 1.18 1.490829079e+02 nan nan 1.20 1.364561965e+02 nan nan 1.22 1.249004170e+02 nan nan 1.24 1.143184835e+02 nan nan 1.26 1.046217485e+02 nan nan 1.28 9.573110455e+01 1.525942324e+02 1.766190769e+02 1.30 8.757542281e+01 1.406614631e+02 1.631612898e+02 1.32 8.008962789e+01 1.296595902e+02 1.507329946e+02 1.34 7.321449862e+01 1.195078198e+02 1.392509272e+02 1.36 6.689758325e+01 1.101353403e+02 1.286387648e+02 1.38 6.109337201e+01 1.014801849e+02 1.188266530e+02 1.40 5.576191632e+01 9.348707664e+01 1.097509183e+02 1.42 5.086629653e+01 8.610576490e+01 1.013535457e+02 1.44 4.637165223e+01 7.928976456e+01 9.358165507e+01 1.46 4.224461022e+01 7.299525712e+01 8.638695373e+01 1.48 3.845367878e+01 6.718045144e+01 7.972493633e+01 1.50 3.497021389e+01 6.180577436e+01 7.355429709e+01 1.52 3.176879715e+01 5.683469455e+01 6.783704702e+01 1.54 2.882682133e+01 5.223411805e+01 6.253888841e+01 1.56 2.612369029e+01 4.797434000e+01 5.762911948e+01 1.58 2.364012550e+01 4.402895215e+01 5.307991232e+01 1.60 2.135783602e+01 4.037416673e+01 4.886551388e+01 1.62 1.925951597e+01 3.698885469e+01 4.496231619e+01 1.64 1.732904851e+01 3.385447049e+01 4.134791004e+01 1.66 1.555180653e+01 3.095455082e+01 3.800050726e+01 1.68 1.391493458e+01 2.827392732e+01 3.489872418e+01 1.70 1.240743490e+01 2.579796931e+01 3.202196403e+01 1.72 1.101996794e+01 2.351208753e+01 2.935125560e+01 1.74 9.744458585e+00 2.140163082e+01 2.686996295e+01 1.76 8.573679552e+00 1.945216971e+01 2.456389201e+01 1.78 7.500927432e+00 1.765000731e+01 2.242083890e+01 1.80 6.519809194e+00 1.598266628e+01 2.042998804e+01 1.82 5.624106947e+00 1.443915223e+01 1.858148068e+01 1.84 4.807702645e+00 1.300991583e+01 1.686623857e+01 1.86 4.064540516e+00 1.168660054e+01 1.527593142e+01 1.88 3.388628624e+00 1.046172274e+01 1.380294258e+01 1.90 2.774082122e+00 9.328414882e+00 1.244023479e+01 1.92 2.215211381e+00 8.280279945e+00 1.118111455e+01 1.94 1.706642539e+00 7.311350094e+00 1.001897670e+01 1.96 1.243432344e+00 6.416106626e+00 8.947117844e+00 1.98 8.211506185e-01 5.589510544e+00 7.958700113e+00 2.00 4.359192259e-01 4.826996624e+00 7.046893523e+00 2.02 8.440984676e-02 4.124416093e+00 6.205148422e+00 2.04 -2.361962612e-01 3.477947879e+00 5.427480934e+00 2.06 -5.282805849e-01 2.884010108e+00 4.708644199e+00 2.08 -7.938829967e-01 2.339195276e+00 4.044135112e+00 2.10 -1.034798516e+00 1.840237737e+00 3.430071428e+00 2.12 -1.252658864e+00 1.384007069e+00 2.863022781e+00 2.14 -1.448991588e+00 9.675131799e-01 2.339857386e+00 2.16 -1.625258703e+00 5.879099205e-01 1.857630066e+00 2.18 -1.782880145e+00 2.424871673e-01 1.413513033e+00 2.20 -1.923241263e+00 -7.134622312e-02 1.004764202e+00 2.22 -2.047688031e+00 -3.560833453e-01 6.287376531e-01 2.24 -2.157708558e+00 -6.141347398e-01 2.829245073e-01 2.26 -2.255182005e+00 -8.478372952e-01 -3.498611836e-02 2.28 -2.340360090e+00 -1.059458874e+00 -3.270562045e-01 2.30 -2.413423948e+00 -1.251192806e+00 -5.950787668e-01 2.32 -2.474719422e+00 -1.425137037e+00 -8.405991120e-01 2.34 -2.524768350e+00 -1.583243493e+00 -1.064963795e+00 2.36 -2.564274683e+00 -1.727252322e+00 -1.269378875e+00 2.38 -2.594115425e+00 -1.858632693e+00 -1.454961575e+00 2.40 -2.615375887e+00 -1.978559607e+00 -1.622775601e+00 2.42 -2.629194267e+00 -2.087937397e+00 -1.773854115e+00 2.44 -2.636619749e+00 -2.187749470e+00 -1.909214323e+00 2.46 -2.638559368e+00 -2.278933060e+00 -2.029871982e+00 2.48 -2.635756786e+00 -2.361252805e+00 -2.136859556e+00 2.50 -2.628798398e+00 -2.434537418e+00 -2.231252172e+00 2.52 -2.618135886e+00 -2.498748790e+00 -2.314783206e+00 2.54 -2.604114705e+00 -2.553958295e+00 -2.388459586e+00 2.56 -2.587001780e+00 -2.600324188e+00 -2.452758416e+00 2.58 -2.567009175e+00 -2.638073585e+00 -2.508297690e+00 2.60 -2.544313224e+00 -2.667508913e+00 -2.555762876e+00 2.62 -2.519068006e+00 -2.689055004e+00 -2.595832340e+00 2.64 -2.491416011e+00 -2.703199278e+00 -2.629118717e+00 2.66 -2.461495735e+00 -2.710471434e+00 -2.656136061e+00 2.68 -2.429447914e+00 -2.711450163e+00 -2.677340988e+00 2.70 -2.395420730e+00 -2.706761306e+00 -2.693144924e+00 2.72 -2.359573793e+00 -2.697064309e+00 -2.703879127e+00 2.74 -2.322080219e+00 -2.683025972e+00 -2.709823391e+00 2.76 -2.283135726e+00 -2.665285632e+00 -2.711232619e+00 2.78 -2.242945710e+00 -2.644419955e+00 -2.708354395e+00 2.80 -2.201688526e+00 -2.620917327e+00 -2.701438430e+00 2.82 -2.159543734e+00 -2.595166141e+00 -2.690739302e+00 2.84 -2.116686261e+00 -2.567460494e+00 -2.676515240e+00 2.86 -2.073280626e+00 -2.538017184e+00 -2.659024315e+00 2.88 -2.029477410e+00 -2.506998573e+00 -2.638519869e+00 2.90 -1.985411786e+00 -2.474535209e+00 -2.615246404e+00 2.92 -1.941195568e+00 -2.440744231e+00 -2.589436733e+00 2.94 -1.896901025e+00 -2.405741872e+00 -2.561310764e+00 2.96 -1.852589253e+00 -2.369650125e+00 -2.531075492e+00 2.98 -1.808320752e+00 -2.332598651e+00 -2.498928399e+00 3.00 -1.764155779e+00 -2.294723394e+00 -2.465057769e+00 3.02 -1.720154858e+00 -2.256175827e+00 -2.429648356e+00 3.04 -1.676378787e+00 -2.217096263e+00 -2.392885122e+00 3.06 -1.632888087e+00 -2.177600865e+00 -2.354957331e+00 3.08 -1.589741970e+00 -2.137800534e+00 -2.316061772e+00 3.10 -1.546996976e+00 -2.097798577e+00 -2.276418661e+00 3.12 -1.504705457e+00 -2.057687817e+00 -2.236233353e+00 3.14 -1.462914086e+00 -2.017549868e+00 -2.195699856e+00 3.16 -1.421662498e+00 -1.977452923e+00 -2.155005202e+00 3.18 -1.380982186e+00 -1.937451373e+00 -2.114317785e+00 3.20 -1.340895705e+00 -1.897569389e+00 -2.073776412e+00 3.22 -1.301416260e+00 -1.857809470e+00 -2.033482797e+00 3.24 -1.262547694e+00 -1.818171224e+00 -1.993498414e+00 3.26 -1.224284906e+00 -1.778653181e+00 -1.953846342e+00 3.28 -1.186614616e+00 -1.739254476e+00 -1.914503592e+00 3.30 -1.149516421e+00 -1.699976518e+00 -1.875415083e+00 3.32 -1.112964042e+00 -1.660824312e+00 -1.836520754e+00 3.34 -1.076926696e+00 -1.621807290e+00 -1.797764886e+00 3.36 -1.041370574e+00 -1.582939594e+00 -1.759102976e+00 3.38 -1.006260454e+00 -1.544239902e+00 -1.720506184e+00 3.40 -9.715615143e-01 -1.505730851e+00 -1.681963345e+00 3.42 -9.372411666e-01 -1.467438402e+00 -1.643480851e+00 3.44 -9.032727070e-01 -1.429390510e+00 -1.605080911e+00 3.46 -8.696363240e-01 -1.391616111e+00 -1.566798793e+00 3.48 -8.363236393e-01 -1.354143722e+00 -1.528679564e+00 3.50 -8.033406722e-01 -1.317000105e+00 -1.490774537e+00 3.52 -7.707109263e-01 -1.280209028e+00 -1.453139428e+00 3.54 -7.384777172e-01 -1.243790268e+00 -1.415830020e+00 3.56 -7.067051094e-01 -1.207758963e+00 -1.378901514e+00 3.58 -6.754768252e-01 -1.172125368e+00 -1.342406735e+00 3.60 -6.448926468e-01 -1.136895106e+00 -1.306395101e+00 3.62 -6.150621975e-01 -1.102069901e+00 -1.270911869e+00 3.64 -5.860965176e-01 -1.067648841e+00 -1.235997531e+00 3.66 -5.580984220e-01 -1.033630118e+00 -1.201687289e+00 3.68 -5.311530523e-01 -1.000013223e+00 -1.168010578e+00 3.70 -5.053201405e-01 -9.668014563e-01 -1.134990713e+00 3.72 -4.806292219e-01 -9.340045977e-01 -1.102644694e+00 3.74 -4.570784468e-01 -9.016414502e-01 -1.070983276e+00 3.76 -4.346369384e-01 -8.697419129e-01 -1.040011277e+00 3.78 -4.132500477e-01 -8.383481738e-01 -1.009728119e+00 3.80 -3.928464972e-01 -8.075146290e-01 -9.801284885e-01 3.82 -3.733463221e-01 -7.773062370e-01 -9.512030410e-01 3.84 -3.546686437e-01 -7.477952250e-01 -9.229390418e-01 3.86 -3.367385345e-01 -7.190563519e-01 -8.953209035e-01 3.88 -3.194924706e-01 -6.911612351e-01 -8.683305847e-01 3.90 -3.028820595e-01 -6.641724797e-01 -8.419478549e-01 3.92 -2.868757908e-01 -6.381383413e-01 -8.161503052e-01 3.94 -2.714593399e-01 -6.130892190e-01 -7.909139896e-01 3.96 -2.566330712e-01 -5.890349371e-01 -7.662124991e-01 3.98 -2.424090340e-01 -5.659649998e-01 -7.420175739e-01 4.00 -2.288063225e-01 -5.438499804e-01 -7.182988795e-01 4.02 -2.158460529e-01 -5.226442740e-01 -6.950239687e-01 4.04 -2.035465012e-01 -5.022895573e-01 -6.721582808e-01 4.06 -1.919190180e-01 -4.827184483e-01 -6.496652013e-01 4.08 -1.809651725e-01 -4.638579791e-01 -6.275062127e-01 4.10 -1.706753442e-01 -4.456323749e-01 -6.056411659e-01 4.12 -1.610287314e-01 -4.279667201e-01 -5.840287117e-01 4.14 -1.519945399e-01 -4.107872016e-01 -5.626269285e-01 4.16 -1.435339971e-01 -3.940240074e-01 -5.413941907e-01 4.18 -1.356028092e-01 -3.776123392e-01 -5.202903137e-01 4.20 -1.281537134e-01 -3.614936112e-01 -4.992780057e-01 4.22 -1.211388514e-01 -3.456166044e-01 -4.783246386e-01 4.24 -1.145118859e-01 -3.299386481e-01 -4.574043202e-01 4.26 -1.082293601e-01 -3.144268542e-01 -4.365002112e-01 4.28 -1.022516264e-01 -2.990593742e-01 -4.156069716e-01 4.30 -9.654659440e-02 -2.838265925e-01 -3.947331638e-01 4.32 -9.108762911e-02 -2.687321164e-01 -3.739033709e-01 4.34 -8.585380912e-02 -2.537933786e-01 -3.531597358e-01 4.36 -8.082995612e-02 -2.390416514e-01 -3.325626037e-01 4.38 -7.600694066e-02 -2.245212849e-01 -3.121899690e-01 4.40 -7.138022135e-02 -2.102880362e-01 -2.921355096e-01 4.42 -6.694959518e-02 -1.964064575e-01 -2.725051366e-01 4.44 -6.271796030e-02 -1.829464389e-01 -2.534121801e-01 4.46 -5.869011870e-02 -1.699791408e-01 -2.349715492e-01 4.48 -5.487155350e-02 -1.575726722e-01 -2.172933906e-01 4.50 -5.126728506e-02 -1.457879365e-01 -2.004768871e-01 4.52 -4.788075627e-02 -1.346750672e-01 -1.846045347e-01 4.54 -4.471371971e-02 -1.242707968e-01 -1.697393975e-01 4.56 -4.176484439e-02 -1.145969696e-01 -1.559206550e-01 4.58 -3.903024625e-02 -1.056602460e-01 -1.431644916e-01 4.60 -3.650342278e-02 -9.745289339e-02 -1.314648007e-01 4.62 -3.417556855e-02 -8.995444361e-02 -1.207956197e-01 4.64 -3.203602324e-02 -8.313391827e-02 -1.111144810e-01 4.66 -3.007278560e-02 -7.695232797e-02 -1.023662246e-01 4.68 -2.827303197e-02 -7.136522219e-02 -9.448687426e-02 4.70 -2.662359500e-02 -6.632503264e-02 -8.740723536e-02 4.72 -2.511137361e-02 -6.178223732e-02 -8.105602757e-02 4.74 -2.372366009e-02 -5.768880990e-02 -7.536246485e-02 4.76 -2.244838213e-02 -5.399923299e-02 -7.025808993e-02 4.78 -2.127426571e-02 -5.067023442e-02 -6.567734303e-02 4.80 -2.019092953e-02 -4.766132868e-02 -6.156112361e-02 4.82 -1.918892419e-02 -4.493608682e-02 -5.785547063e-02 4.84 -1.825969405e-02 -4.246093755e-02 -5.451137365e-02 4.86 -1.739555485e-02 -4.020608792e-02 -5.148488707e-02 4.88 -1.658975038e-02 -3.814512161e-02 -4.873700149e-02 4.90 -1.583629369e-02 -3.625477156e-02 -4.623336212e-02 4.92 -1.512989400e-02 -3.451465083e-02 -4.394390042e-02 4.94 -1.446588511e-02 -3.290693868e-02 -4.184242561e-02 4.96 -1.384015530e-02 -3.141613929e-02 -3.990620805e-02 4.98 -1.324908076e-02 -3.002882277e-02 -3.811557499e-02 5.00 -1.268946406e-02 -2.873333530e-02 -3.645353133e-02 5.02 -1.215847813e-02 -2.751956906e-02 -3.490541176e-02 5.04 -1.165361597e-02 -2.637875545e-02 -3.345856798e-02 5.06 -1.117264608e-02 -2.530328167e-02 -3.210209070e-02 5.08 -1.071357325e-02 -2.428652976e-02 -3.082656501e-02 5.10 -1.027460435e-02 -2.332273687e-02 -2.962385704e-02 5.12 -9.854118694e-03 -2.240687480e-02 -2.848692907e-02 5.14 -9.450642469e-03 -2.153454708e-02 -2.740968007e-02 5.16 -9.062826984e-03 -2.070190179e-02 -2.638680867e-02 5.18 -8.689430215e-03 -1.990555824e-02 -2.541369598e-02 5.20 -8.329301412e-03 -1.914254610e-02 -2.448630546e-02 5.22 -7.981368520e-03 -1.841025519e-02 -2.360109758e-02 5.24 -7.644628199e-03 -1.770639477e-02 -2.275495723e-02 5.26 -7.318138330e-03 -1.702896065e-02 -2.194513201e-02 5.28 -7.001012921e-03 -1.637620892e-02 -2.116917980e-02 5.30 -6.692419388e-03 -1.574663479e-02 -2.042492423e-02 5.32 -6.391578195e-03 -1.513895513e-02 -1.971041690e-02 5.34 -6.097764880e-03 -1.455209297e-02 -1.902390523e-02 5.36 -5.810314438e-03 -1.398514177e-02 -1.836377787e-02 5.38 -5.528628021e-03 -1.343737987e-02 -1.772857227e-02 5.40 -5.252181799e-03 -1.290826207e-02 -1.711698610e-02 5.42 -4.980537684e-03 -1.239737871e-02 -1.652782416e-02 5.44 -4.713355458e-03 -1.190443113e-02 -1.595998415e-02 5.46 -4.450405560e-03 -1.142920371e-02 -1.541244452e-02 5.48 -4.191581563e-03 -1.097153338e-02 -1.488425407e-02 5.50 -3.936911085e-03 -1.053127817e-02 -1.437452298e-02 5.52 -3.686563631e-03 -1.010828684e-02 -1.388241509e-02 5.54 -3.440853764e-03 -9.702371507e-03 -1.340703602e-02 5.56 -3.200238011e-03 -9.313285415e-03 -1.294786440e-02 5.58 -2.965304179e-03 -8.940707174e-03 -1.250406399e-02 5.60 -2.736752260e-03 -8.584232228e-03 -1.207495475e-02 5.62 -2.515366858e-03 -8.243371512e-03 -1.165988425e-02 5.64 -2.301982046e-03 -7.917556477e-03 -1.125822421e-02 5.66 -2.097440522e-03 -7.606149180e-03 -1.086936750e-02 5.68 -1.902549867e-03 -7.308455793e-03 -1.049272541e-02 5.70 -1.718039310e-03 -7.023741875e-03 -1.012772533e-02 5.72 -1.544520572e-03 -6.751247901e-03 -9.773808646e-03 5.74 -1.382456068e-03 -6.490203862e-03 -9.430428975e-03 5.76 -1.232136950e-03 -6.239842118e-03 -9.097050668e-03 5.78 -1.093672350e-03 -5.999408048e-03 -8.773147597e-03 5.80 -9.669899607e-04 -5.768168368e-03 -8.458202268e-03 5.82 -8.518468992e-04 -5.545417219e-03 -8.151705267e-03 5.84 -7.478489055e-04 -5.330480308e-03 -7.853155104e-03 5.86 -6.544753790e-04 -5.122717460e-03 -7.562058481e-03 5.88 -5.711076098e-04 -4.921523993e-03 -7.277931073e-03 5.90 -4.970577379e-04 -4.726331323e-03 -7.000298866e-03 5.92 -4.315963963e-04 -4.536607155e-03 -6.728700149e-03 5.94 -3.739775429e-04 -4.351855601e-03 -6.462688225e-03 5.96 -3.234595562e-04 -4.171617481e-03 -6.201834908e-03 5.98 -2.793221782e-04 -3.995471028e-03 -5.945734883e-03 6.00 -2.408793080e-04 -3.823033142e-03 -5.694010936e-03