# 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 = AuZr3 # 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 4.941807113e+02 nan nan 1.16 4.577691860e+02 nan nan 1.18 4.241989052e+02 nan nan 1.20 3.932248239e+02 nan nan 1.22 3.646231728e+02 nan nan 1.24 3.381914671e+02 nan nan 1.26 3.137484976e+02 nan nan 1.28 2.911317924e+02 4.338736772e+02 4.919181928e+02 1.30 2.701933548e+02 4.046220652e+02 4.594104010e+02 1.32 2.507969156e+02 3.774371604e+02 4.291751557e+02 1.34 2.328174329e+02 3.521571142e+02 4.010366618e+02 1.36 2.161409683e+02 3.286355519e+02 3.748335766e+02 1.38 2.006636127e+02 3.067398727e+02 3.504175888e+02 1.40 1.862905825e+02 2.863488629e+02 3.276528825e+02 1.42 1.729358495e+02 2.673506903e+02 3.064156940e+02 1.44 1.605216989e+02 2.496415347e+02 2.865936097e+02 1.46 1.489778881e+02 2.331247864e+02 2.680844038e+02 1.48 1.382404266e+02 2.177109389e+02 2.507944043e+02 1.50 1.282503822e+02 2.033181306e+02 2.346367883e+02 1.52 1.189531940e+02 1.898724917e+02 2.195307809e+02 1.54 1.102984015e+02 1.773074914e+02 2.054016488e+02 1.56 1.022392647e+02 1.655625017e+02 1.921807699e+02 1.58 9.473232462e+01 1.545813574e+02 1.798052274e+02 1.60 8.773708537e+01 1.443115442e+02 1.682170435e+02 1.62 8.121609553e+01 1.347039258e+02 1.573625044e+02 1.64 7.513506598e+01 1.257127747e+02 1.471917355e+02 1.66 6.946280389e+01 1.172956897e+02 1.376584268e+02 1.68 6.417079658e+01 1.094134181e+02 1.287196537e+02 1.70 5.923274039e+01 1.020295728e+02 1.203357477e+02 1.72 5.462417565e+01 9.511035950e+01 1.124701934e+02 1.74 5.032232966e+01 8.862439516e+01 1.050894205e+02 1.76 4.630605946e+01 8.254264319e+01 9.816249464e+01 1.78 4.255572389e+01 7.683839818e+01 9.166069877e+01 1.80 3.905298895e+01 7.148718403e+01 8.555711750e+01 1.82 3.578064442e+01 6.646651270e+01 7.982628467e+01 1.84 3.272249307e+01 6.175556525e+01 7.444402884e+01 1.86 2.986342947e+01 5.733495931e+01 6.938752866e+01 1.88 2.719013069e+01 5.318649760e+01 6.463543863e+01 1.90 2.469127242e+01 4.929300495e+01 6.016800163e+01 1.92 2.236213490e+01 4.563821525e+01 5.596700599e+01 1.94 2.019567587e+01 4.220672970e+01 5.201564788e+01 1.96 1.818109409e+01 3.898405250e+01 4.829834626e+01 1.98 1.630830437e+01 3.595664882e+01 4.480054808e+01 2.00 1.456787232e+01 3.311199271e+01 4.150860746e+01 2.02 1.295093826e+01 3.043853881e+01 3.840972777e+01 2.04 1.144920253e+01 2.792573224e+01 3.549197951e+01 2.06 1.005485361e+01 2.556484192e+01 3.274432552e+01 2.08 8.760578890e+00 2.334824705e+01 3.015659118e+01 2.10 7.559571289e+00 2.127421028e+01 2.771949474e+01 2.12 6.445527805e+00 1.933503133e+01 2.542539592e+01 2.14 5.412622542e+00 1.752233584e+01 2.326801889e+01 2.16 4.455434748e+00 1.582822087e+01 2.124601153e+01 2.18 3.568929045e+00 1.424521079e+01 1.935193838e+01 2.20 2.748364865e+00 1.276624461e+01 1.757804854e+01 2.22 1.989282729e+00 1.138463820e+01 1.591700527e+01 2.24 1.287474274e+00 1.009407945e+01 1.436188691e+01 2.26 6.389798570e-01 8.888644708e+00 1.290619134e+01 2.28 4.008901555e-02 7.762829545e+00 1.154382283e+01 2.30 -5.126423009e-01 6.711578910e+00 1.026911048e+01 2.32 -1.022392217e+00 5.730277022e+00 9.076769337e+00 2.34 -1.492085034e+00 4.814716092e+00 7.961868709e+00 2.36 -1.924384348e+00 3.961032335e+00 6.919786086e+00 2.38 -2.321738346e+00 3.165644092e+00 5.946158712e+00 2.40 -2.686402560e+00 2.425197897e+00 5.036852227e+00 2.42 -3.020474343e+00 1.736515826e+00 4.187941241e+00 2.44 -3.325916020e+00 1.096572564e+00 3.395710997e+00 2.46 -3.604567006e+00 5.024612541e-01 2.656667310e+00 2.48 -3.858149283e+00 -4.861857529e-02 1.967546386e+00 2.50 -4.088271871e+00 -5.593647585e-01 1.325294577e+00 2.52 -4.296437558e+00 -1.032367073e+00 7.270743181e-01 2.54 -4.484047939e+00 -1.470095924e+00 1.702230228e-01 2.56 -4.652432497e+00 -1.874889125e+00 -3.477636504e-01 2.58 -4.802829156e+00 -2.248940755e+00 -8.292455142e-01 2.60 -4.936414748e+00 -2.594295256e+00 -1.276442070e+00 2.62 -5.054305887e+00 -2.912845892e+00 -1.691427827e+00 2.64 -5.157571732e+00 -3.206349891e+00 -2.076136466e+00 2.66 -5.247228656e+00 -3.476424319e+00 -2.432347143e+00 2.68 -5.324401083e+00 -3.724568858e+00 -2.761701492e+00 2.70 -5.390013126e+00 -3.952176342e+00 -3.065715944e+00 2.72 -5.444780040e+00 -4.160545316e+00 -3.345802212e+00 2.74 -5.489421811e+00 -4.350889996e+00 -3.603290377e+00 2.76 -5.524653806e+00 -4.524346418e+00 -3.839451835e+00 2.78 -5.551177083e+00 -4.681971501e+00 -4.055518775e+00 2.80 -5.569681174e+00 -4.824759120e+00 -4.252702981e+00 2.82 -5.580824208e+00 -4.953617106e+00 -4.432197347e+00 2.84 -5.585181380e+00 -5.069388691e+00 -4.595177899e+00 2.86 -5.582965394e+00 -5.172853903e+00 -4.742790928e+00 2.88 -5.574320819e+00 -5.264737445e+00 -4.876134801e+00 2.90 -5.559430930e+00 -5.345743828e+00 -4.996240510e+00 2.92 -5.538515737e+00 -5.416603694e+00 -5.104056491e+00 2.94 -5.511818474e+00 -5.477885575e+00 -5.200441302e+00 2.96 -5.479590454e+00 -5.530056050e+00 -5.286158835e+00 2.98 -5.442091625e+00 -5.573561583e+00 -5.361911424e+00 3.00 -5.399594638e+00 -5.608851028e+00 -5.428423239e+00 3.02 -5.352428143e+00 -5.636372056e+00 -5.486278719e+00 3.04 -5.300827158e+00 -5.656564450e+00 -5.535864549e+00 3.06 -5.245017228e+00 -5.669871862e+00 -5.577568126e+00 3.08 -5.185239642e+00 -5.676706164e+00 -5.611781442e+00 3.10 -5.121749832e+00 -5.677324285e+00 -5.638904054e+00 3.12 -5.054815793e+00 -5.671864287e+00 -5.659344565e+00 3.14 -4.984715698e+00 -5.660432564e+00 -5.673519913e+00 3.16 -4.911733897e+00 -5.643154387e+00 -5.681851767e+00 3.18 -4.836154992e+00 -5.620204154e+00 -5.684731645e+00 3.20 -4.758254302e+00 -5.591794434e+00 -5.682315965e+00 3.22 -4.678289709e+00 -5.558171717e+00 -5.674690216e+00 3.24 -4.596501418e+00 -5.519614130e+00 -5.661971031e+00 3.26 -4.513112125e+00 -5.476430622e+00 -5.644301551e+00 3.28 -4.428331627e+00 -5.429007987e+00 -5.621839240e+00 3.30 -4.342365571e+00 -5.377711532e+00 -5.594749762e+00 3.32 -4.255426125e+00 -5.322874073e+00 -5.563203817e+00 3.34 -4.167737873e+00 -5.264846007e+00 -5.527375798e+00 3.36 -4.079558686e+00 -5.203978410e+00 -5.487444682e+00 3.38 -3.991153979e+00 -5.140606321e+00 -5.443640736e+00 3.40 -3.902805992e+00 -5.075033699e+00 -5.396135066e+00 3.42 -3.814792818e+00 -5.007533805e+00 -5.345069757e+00 3.44 -3.727382592e+00 -4.938335580e+00 -5.290595620e+00 3.46 -3.640802975e+00 -4.867635817e+00 -5.232870832e+00 3.48 -3.555243499e+00 -4.795600350e+00 -5.172060379e+00 3.50 -3.470845280e+00 -4.722372111e+00 -5.108329356e+00 3.52 -3.387722643e+00 -4.648079821e+00 -5.041874973e+00 3.54 -3.305939790e+00 -4.572842479e+00 -4.972881729e+00 3.56 -3.225539543e+00 -4.496772128e+00 -4.901559108e+00 3.58 -3.146544845e+00 -4.419975285e+00 -4.828134095e+00 3.60 -3.068964635e+00 -4.342553429e+00 -4.752854642e+00 3.62 -2.992798322e+00 -4.264603001e+00 -4.675993996e+00 3.64 -2.918039084e+00 -4.186215260e+00 -4.597848160e+00 3.66 -2.844676259e+00 -4.107476343e+00 -4.518728558e+00 3.68 -2.772697047e+00 -4.028467740e+00 -4.438950382e+00 3.70 -2.702087643e+00 -3.949267395e+00 -4.358818116e+00 3.72 -2.632833917e+00 -3.869951506e+00 -4.278610775e+00 3.74 -2.564921737e+00 -3.790597045e+00 -4.198569653e+00 3.76 -2.498337047e+00 -3.711284857e+00 -4.118890768e+00 3.78 -2.433065810e+00 -3.632103024e+00 -4.039722904e+00 3.80 -2.369093915e+00 -3.553149972e+00 -3.961170797e+00 3.82 -2.306407105e+00 -3.474536652e+00 -3.883301993e+00 3.84 -2.244990972e+00 -3.396387048e+00 -3.806155558e+00 3.86 -2.184831013e+00 -3.318836393e+00 -3.729750952e+00 3.88 -2.125912736e+00 -3.242026886e+00 -3.654095914e+00 3.90 -2.068221778e+00 -3.166101187e+00 -3.579192711e+00 3.92 -2.011740149e+00 -3.091190675e+00 -3.505036474e+00 3.94 -1.956462439e+00 -3.017424296e+00 -3.431643754e+00 3.96 -1.902370221e+00 -2.944895999e+00 -3.359013383e+00 3.98 -1.849449977e+00 -2.873679332e+00 -3.287155556e+00 4.00 -1.797688095e+00 -2.803821545e+00 -3.216083974e+00 4.02 -1.747070636e+00 -2.735345317e+00 -3.145815185e+00 4.04 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-2.034823160e+00 4.40 -9.791930886e-01 -1.670624751e+00 -1.982085136e+00 4.42 -9.478357758e-01 -1.625984719e+00 -1.930337128e+00 4.44 -9.173406500e-01 -1.582434291e+00 -1.879599231e+00 4.46 -8.877142362e-01 -1.539958636e+00 -1.829894261e+00 4.48 -8.589624937e-01 -1.498539710e+00 -1.781246079e+00 4.50 -8.310894543e-01 -1.458156575e+00 -1.733677462e+00 4.52 -8.040959473e-01 -1.418785800e+00 -1.687192158e+00 4.54 -7.779785452e-01 -1.380401939e+00 -1.641837839e+00 4.56 -7.527288247e-01 -1.342978004e+00 -1.597601934e+00 4.58 -7.283330082e-01 -1.306485923e+00 -1.554482191e+00 4.60 -7.047719837e-01 -1.270896961e+00 -1.512467363e+00 4.62 -6.820216650e-01 -1.236182097e+00 -1.471537619e+00 4.64 -6.600536137e-01 -1.202312362e+00 -1.431665593e+00 4.66 -6.388358307e-01 -1.169259148e+00 -1.392817906e+00 4.68 -6.183336216e-01 -1.136994489e+00 -1.354956929e+00 4.70 -5.985104550e-01 -1.105491333e+00 -1.318042600e+00 4.72 -5.793287535e-01 -1.074723803e+00 -1.282034153e+00 4.74 -5.607505774e-01 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-4.501896826e-01 5.46 -1.315184191e-01 -3.355478560e-01 -4.375189229e-01 5.48 -1.258617260e-01 -3.237404045e-01 -4.252090528e-01 5.50 -1.204321585e-01 -3.122923088e-01 -4.132455167e-01 5.52 -1.152105836e-01 -3.012128011e-01 -4.016144045e-01 5.54 -1.101808548e-01 -2.905097936e-01 -3.902976665e-01 5.56 -1.053299603e-01 -2.801890208e-01 -3.792926004e-01 5.58 -1.006480140e-01 -2.702533550e-01 -3.685812847e-01 5.60 -9.612809877e-02 -2.607023434e-01 -3.581517014e-01 5.62 -9.176597251e-02 -2.515319907e-01 -3.479921289e-01 5.64 -8.755965575e-02 -2.427347808e-01 -3.380910810e-01 5.66 -8.350892351e-02 -2.342999073e-01 -3.284372488e-01 5.68 -7.961473374e-02 -2.262136659e-01 -3.190194462e-01 5.70 -7.587863072e-02 -2.184599509e-01 -3.098265604e-01 5.72 -7.230216480e-02 -2.110208021e-01 -3.008475056e-01 5.74 -6.888636948e-02 -2.038769527e-01 -2.920711822e-01 5.76 -6.563133054e-02 -1.970083395e-01 -2.834864410e-01 5.78 -6.253587220e-02 -1.903945523e-01 -2.750820533e-01 5.80 -5.959737171e-02 -1.840152071e-01 -2.668466890e-01 5.82 -5.681170088e-02 -1.778502416e-01 -2.587689025e-01 5.84 -5.417328292e-02 -1.718801369e-01 -2.508371291e-01 5.86 -5.167524129e-02 -1.660860751e-01 -2.430396941e-01 5.88 -4.930961387e-02 -1.604500454e-01 -2.353648363e-01 5.90 -4.706744554e-02 -1.549549127e-01 -2.278007500e-01 5.92 -4.493938371e-02 -1.495844609e-01 -2.203356468e-01 5.94 -4.291590393e-02 -1.443234252e-01 -2.129578425e-01 5.96 -4.098736693e-02 -1.391575227e-01 -2.056558708e-01 5.98 -3.914425562e-02 -1.340734922e-01 -1.984186291e-01 6.00 -3.737737479e-02 -1.290591488e-01 -1.912355563e-01