# 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 = Au3Zr # 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 4.805449320e+02 nan nan 1.16 4.444080995e+02 nan nan 1.18 4.111326474e+02 nan nan 1.20 3.804635459e+02 nan nan 1.22 3.521717434e+02 nan nan 1.24 3.260522082e+02 nan nan 1.26 3.019218682e+02 nan nan 1.28 2.796167257e+02 4.205043913e+02 4.780659470e+02 1.30 2.589873279e+02 3.915372433e+02 4.458064001e+02 1.32 2.398953703e+02 3.646458302e+02 4.158358424e+02 1.34 2.222136383e+02 3.396655927e+02 3.879716419e+02 1.36 2.058271910e+02 3.164472421e+02 3.620468165e+02 1.38 1.906330343e+02 2.948541337e+02 3.379101006e+02 1.40 1.765380470e+02 2.747604817e+02 3.154255263e+02 1.42 1.634568891e+02 2.560511679e+02 2.944703471e+02 1.44 1.513109327e+02 2.386219737e+02 2.749326258e+02 1.46 1.400280228e+02 2.223786881e+02 2.567095245e+02 1.48 1.295418670e+02 2.072351207e+02 2.397060384e+02 1.50 1.197910904e+02 1.931115540e+02 2.238335533e+02 1.52 1.107188166e+02 1.799342325e+02 2.090092231e+02 1.54 1.022726237e+02 1.676351843e+02 1.951562942e+02 1.56 9.440450320e+01 1.561515343e+02 1.822043261e+02 1.58 8.707068197e+01 1.454244416e+02 1.700888611e+02 1.60 8.023149053e+01 1.353985807e+02 1.587507488e+02 1.62 7.385136151e+01 1.260224180e+02 1.481355787e+02 1.64 6.789837172e+01 1.172488149e+02 1.381933878e+02 1.66 6.234332371e+01 1.090351860e+02 1.288782977e+02 1.68 5.715882616e+01 1.013430608e+02 1.201479367e+02 1.70 5.231892695e+01 9.413714158e+01 1.119629133e+02 1.72 4.779971875e+01 8.738450936e+01 1.042865314e+02 1.74 4.359090894e+01 8.105425741e+01 9.708479020e+01 1.76 3.969891326e+01 7.511755198e+01 9.032633762e+01 1.78 3.610156697e+01 6.954775848e+01 8.398220358e+01 1.80 3.277710667e+01 6.432042059e+01 7.802529233e+01 1.82 2.970526741e+01 5.941303190e+01 7.243002526e+01 1.84 2.686713461e+01 5.480485032e+01 6.717227298e+01 1.86 2.424510519e+01 5.047685416e+01 6.222964513e+01 1.88 2.182285701e+01 4.641171803e+01 5.758168673e+01 1.90 1.958530414e+01 4.260903630e+01 5.320982694e+01 1.92 1.751853400e+01 3.907089029e+01 4.909738562e+01 1.94 1.560970181e+01 3.577935001e+01 4.522991095e+01 1.96 1.384698239e+01 3.271769296e+01 4.161544766e+01 1.98 1.221952616e+01 2.987041876e+01 3.824604297e+01 2.00 1.071741883e+01 2.722310722e+01 3.510473750e+01 2.02 9.331613852e+00 2.476226867e+01 3.217571477e+01 2.04 8.053857488e+00 2.247524027e+01 2.944437698e+01 2.06 6.876589164e+00 2.035013998e+01 2.689735120e+01 2.08 5.792858256e+00 1.837586827e+01 2.452239025e+01 2.10 4.796228718e+00 1.654210650e+01 2.230826959e+01 2.12 3.880689516e+00 1.483928719e+01 2.024464906e+01 2.14 3.040578970e+00 1.325853422e+01 1.832194322e+01 2.16 2.270532711e+00 1.179157537e+01 1.653121232e+01 2.18 1.565466207e+00 1.043066074e+01 1.486408294e+01 2.20 9.205689343e-01 9.168517695e+00 1.331272130e+01 2.22 3.313246566e-01 7.998321283e+00 1.186976762e+01 2.24 -2.064756231e-01 6.913688297e+00 1.052831670e+01 2.26 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-4.382049474e+00 -3.203990353e+00 -2.384795552e+00 2.64 -4.411351613e+00 -3.392455251e+00 -2.651645083e+00 2.66 -4.429746294e+00 -3.561340902e+00 -2.894340844e+00 2.68 -4.438107287e+00 -3.712088230e+00 -3.114458866e+00 2.70 -4.437301231e+00 -3.846033063e+00 -3.313501137e+00 2.72 -4.428388108e+00 -3.964406777e+00 -3.492745782e+00 2.74 -4.412138636e+00 -4.068340724e+00 -3.653370753e+00 2.76 -4.389113784e+00 -4.158800111e+00 -3.796494524e+00 2.78 -4.359898826e+00 -4.236555347e+00 -3.923189535e+00 2.80 -4.325085154e+00 -4.302341340e+00 -4.034497214e+00 2.82 -4.285240415e+00 -4.356861121e+00 -4.131437452e+00 2.84 -4.240896818e+00 -4.400791353e+00 -4.215005718e+00 2.86 -4.192539001e+00 -4.434779898e+00 -4.286061304e+00 2.88 -4.140593640e+00 -4.459446796e+00 -4.345405110e+00 2.90 -4.085424258e+00 -4.475386304e+00 -4.393853063e+00 2.92 -4.027354663e+00 -4.483169680e+00 -4.432216068e+00 2.94 -3.966689068e+00 -4.483403980e+00 -4.461278179e+00 2.96 -3.903702107e+00 -4.476630659e+00 -4.481776418e+00 2.98 -3.838654580e+00 -4.463429706e+00 -4.494395919e+00 3.00 -3.771793321e+00 -4.444201885e+00 -4.499753537e+00 3.02 -3.703353059e+00 -4.419294649e+00 -4.498408019e+00 3.04 -3.633557742e+00 -4.389081162e+00 -4.490986051e+00 3.06 -3.562621762e+00 -4.353958434e+00 -4.478001334e+00 3.08 -3.490751326e+00 -4.314329684e+00 -4.459709126e+00 3.10 -3.418145926e+00 -4.270600189e+00 -4.436379343e+00 3.12 -3.344999611e+00 -4.223159658e+00 -4.408298221e+00 3.14 -3.271501565e+00 -4.172383644e+00 -4.375767143e+00 3.16 -3.197835501e+00 -4.118614393e+00 -4.339099604e+00 3.18 -3.124177620e+00 -4.062166909e+00 -4.298616033e+00 3.20 -3.050693384e+00 -4.003334638e+00 -4.254635842e+00 3.22 -2.977533793e+00 -3.942391403e+00 -4.207472277e+00 3.24 -2.904832122e+00 -3.879594648e+00 -4.157407738e+00 3.26 -2.832701905e+00 -3.815189502e+00 -4.104704329e+00 3.28 -2.761236527e+00 -3.749412563e+00 -4.049605796e+00 3.30 -2.690510304e+00 -3.682494273e+00 -3.992337283e+00 3.32 -2.620580620e+00 -3.614659048e+00 -3.933106886e+00 3.34 -2.551490670e+00 -3.546123067e+00 -3.872108223e+00 3.36 -2.483272469e+00 -3.477090419e+00 -3.809523347e+00 3.38 -2.415949985e+00 -3.407748967e+00 -3.745525555e+00 3.40 -2.349542328e+00 -3.338266272e+00 -3.680281911e+00 3.42 -2.284063410e+00 -3.268792555e+00 -3.613955425e+00 3.44 -2.219539802e+00 -3.199454867e+00 -3.546706896e+00 3.46 -2.155989708e+00 -3.130363999e+00 -3.478696348e+00 3.48 -2.093441454e+00 -3.061616073e+00 -3.410084027e+00 3.50 -2.031929534e+00 -2.993295318e+00 -3.341028082e+00 3.52 -1.971493869e+00 -2.925476321e+00 -3.271696071e+00 3.54 -1.912177881e+00 -2.858225576e+00 -3.202245879e+00 3.56 -1.854025912e+00 -2.791602400e+00 -3.132837685e+00 3.58 -1.797080548e+00 -2.725659356e+00 -3.063629148e+00 3.60 -1.741380394e+00 -2.660442396e+00 -2.994773891e+00 3.62 -1.686958489e+00 -2.595990892e+00 -2.926419748e+00 3.64 -1.633841233e+00 -2.532337713e+00 -2.858706584e+00 3.66 -1.582047501e+00 -2.469509458e+00 -2.791763547e+00 3.68 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-1.767302210e+00 4.04 -8.186258005e-01 -1.452840472e+00 -1.719922498e+00 4.06 -7.878635676e-01 -1.409577248e+00 -1.673470412e+00 4.08 -7.580181585e-01 -1.367300049e+00 -1.627945728e+00 4.10 -7.291136492e-01 -1.325974935e+00 -1.583348000e+00 4.12 -7.011694136e-01 -1.285581656e+00 -1.539675927e+00 4.14 -6.741972316e-01 -1.246089682e+00 -1.496926867e+00 4.16 -6.481992166e-01 -1.207477426e+00 -1.455096488e+00 4.18 -6.231667919e-01 -1.169728426e+00 -1.414178578e+00 4.20 -5.990807858e-01 -1.132832020e+00 -1.374164961e+00 4.22 -5.759125577e-01 -1.096783671e+00 -1.335045552e+00 4.24 -5.536259109e-01 -1.061584918e+00 -1.296808494e+00 4.26 -5.321795327e-01 -1.027242890e+00 -1.259440400e+00 4.28 -5.115296332e-01 -9.937693521e-01 -1.222926670e+00 4.30 -4.916325187e-01 -9.611792927e-01 -1.187251861e+00 4.32 -4.724468825e-01 -9.294891335e-01 -1.152400118e+00 4.34 -4.539356566e-01 -8.987146896e-01 -1.118355610e+00 4.36 -4.360651940e-01 -8.688690753e-01 -1.085102950e+00 4.38 -4.188149193e-01 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-1.043272149e-01 -1.362390714e-01 5.46 -4.536974659e-02 -1.002975086e-01 -1.318082233e-01 5.48 -4.298771784e-02 -9.643627079e-02 -1.275811613e-01 5.50 -4.062787858e-02 -9.273772694e-02 -1.235408317e-01 5.52 -3.829029662e-02 -8.919702086e-02 -1.196719153e-01 5.54 -3.597673822e-02 -8.580983366e-02 -1.159590344e-01 5.56 -3.369068698e-02 -8.257203560e-02 -1.123933200e-01 5.58 -3.143729117e-02 -7.947939424e-02 -1.089617509e-01 5.60 -2.922322516e-02 -7.652732788e-02 -1.056543037e-01 5.62 -2.705645829e-02 -7.371066111e-02 -1.024619063e-01 5.64 -2.494593303e-02 -7.102393262e-02 -9.937631257e-02 5.66 -2.290116476e-02 -6.846117084e-02 -9.638998923e-02 5.68 -2.093178608e-02 -6.601590846e-02 -9.349601426e-02 5.70 -1.904693856e-02 -6.368128921e-02 -9.068798666e-02 5.72 -1.725479206e-02 -6.145019326e-02 -8.795994648e-02 5.74 -1.556272104e-02 -5.931536616e-02 -8.530630457e-02 5.76 -1.397651651e-02 -5.726953982e-02 -8.272178134e-02 5.78 -1.250013737e-02 -5.530553776e-02 -8.020135404e-02 5.80 -1.113561172e-02 -5.341636075e-02 -7.774021190e-02 5.82 -9.883057067e-03 -5.159525177e-02 -7.533371907e-02 5.84 -8.740804908e-03 -4.983574158e-02 -7.297738504e-02 5.86 -7.705607254e-03 -4.813167761e-02 -7.066684259e-02 5.88 -6.772898304e-03 -4.647723981e-02 -6.839783355e-02 5.90 -5.937084011e-03 -4.486694716e-02 -6.616620261e-02 5.92 -5.191835166e-03 -4.329565877e-02 -6.396789980e-02 5.94 -4.530364468e-03 -4.175857294e-02 -6.179899212e-02 5.96 -3.945673775e-03 -4.025122725e-02 -5.965568511e-02 5.98 -3.430763352e-03 -3.876950226e-02 -5.753435499e-02 6.00 -2.978799900e-03 -3.730963077e-02 -5.543159183e-02