# 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 = Cu3Zr # 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 1.714752888e+02 nan nan 1.16 1.569104135e+02 nan nan 1.18 1.435598057e+02 nan nan 1.20 1.313197444e+02 nan nan 1.22 1.200971121e+02 nan nan 1.24 1.098053941e+02 nan nan 1.26 1.003639474e+02 nan nan 1.28 9.169789759e+01 1.469707723e+02 1.702131632e+02 1.30 8.373772709e+01 1.353956111e+02 1.572343106e+02 1.32 7.641953516e+01 1.247128672e+02 1.452367684e+02 1.34 6.968608979e+01 1.148501733e+02 1.341398742e+02 1.36 6.348773721e+01 1.057411669e+02 1.238694849e+02 1.38 5.778207093e+01 9.732549143e+01 1.143581189e+02 1.40 5.253229436e+01 8.954830671e+01 1.055447590e+02 1.42 4.770504043e+01 8.235943624e+01 9.737446961e+01 1.44 4.326861231e+01 7.571234294e+01 8.979797109e+01 1.46 3.919214297e+01 6.956345224e+01 8.277105169e+01 1.48 3.544603989e+01 6.387203803e+01 7.625352101e+01 1.50 3.200291132e+01 5.860036399e+01 7.020834235e+01 1.52 2.883782634e+01 5.371389562e+01 6.460121228e+01 1.54 2.592811172e+01 4.918133424e+01 5.940031791e+01 1.56 2.325332147e+01 4.497444277e+01 5.457619428e+01 1.58 2.079385100e+01 4.106793874e+01 5.010159147e+01 1.60 1.853137558e+01 3.743956857e+01 4.595134741e+01 1.62 1.644868790e+01 3.407013191e+01 4.210212294e+01 1.64 1.453005636e+01 3.094315095e+01 3.853188763e+01 1.66 1.276156258e+01 2.804416414e+01 3.521947261e+01 1.68 1.113122487e+01 2.536003429e+01 3.214449860e+01 1.70 9.628898253e+00 2.287862168e+01 2.928766826e+01 1.72 8.245861166e+00 2.058734911e+01 2.663128483e+01 1.74 6.974367005e+00 1.847345398e+01 2.415999129e+01 1.76 5.807340262e+00 1.652399394e+01 2.186013251e+01 1.78 4.738268504e+00 1.472614293e+01 1.971938421e+01 1.80 3.761151414e+00 1.306769579e+01 1.772684752e+01 1.82 2.870333305e+00 1.153722955e+01 1.587279527e+01 1.84 2.060303408e+00 1.012417767e+01 1.414887698e+01 1.86 1.325456688e+00 8.818880056e+00 1.254785753e+01 1.88 6.599822574e-01 7.612601905e+00 1.106336516e+01 1.90 5.790408822e-02 6.497554929e+00 9.689599565e+00 1.92 -4.867364690e-01 5.466857830e+00 8.420944391e+00 1.94 -9.795886146e-01 4.514447403e+00 7.251658767e+00 1.96 -1.425781434e+00 3.634940882e+00 6.175642831e+00 1.98 -1.829822637e+00 2.823543544e+00 5.186404454e+00 2.00 -2.195609792e+00 2.075966721e+00 4.277215015e+00 2.02 -2.526494154e+00 1.388325760e+00 3.441401986e+00 2.04 -2.825364005e+00 7.570227905e-01 2.672680751e+00 2.06 -3.094708108e+00 1.786340737e-01 1.965372202e+00 2.08 -3.336707404e+00 -3.501789719e-01 1.314480566e+00 2.10 -3.553304458e+00 -8.327041459e-01 7.156018221e-01 2.12 -3.746258205e+00 -1.272161566e+00 1.648018730e-01 2.14 -3.917183167e+00 -1.671658031e+00 -3.414855323e-01 2.16 -4.067580914e+00 -2.034126865e+00 -8.065213381e-01 2.18 -4.198884397e+00 -2.362305523e+00 -1.233300715e+00 2.20 -4.312540138e+00 -2.658746635e+00 -1.624616072e+00 2.22 -4.409854946e+00 -2.925868833e+00 -1.983053225e+00 2.24 -4.492036460e+00 -3.165999204e+00 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-4.813038745e+00 -4.768712812e+00 2.62 -4.481317630e+00 -4.817175371e+00 -4.788279265e+00 2.64 -4.441259252e+00 -4.815471311e+00 -4.802078879e+00 2.66 -4.398210079e+00 -4.808325015e+00 -4.810557623e+00 2.68 -4.352083809e+00 -4.796178986e+00 -4.814069681e+00 2.70 -4.302869445e+00 -4.779512657e+00 -4.812892105e+00 2.72 -4.250629019e+00 -4.758826614e+00 -4.807252867e+00 2.74 -4.195521788e+00 -4.734618377e+00 -4.797359655e+00 2.76 -4.137815107e+00 -4.707525750e+00 -4.783423421e+00 2.78 -4.077808322e+00 -4.677907734e+00 -4.765673555e+00 2.80 -4.015811030e+00 -4.645897579e+00 -4.744367110e+00 2.82 -3.952109379e+00 -4.611880986e+00 -4.719784571e+00 2.84 -3.886954816e+00 -4.575881966e+00 -4.692224276e+00 2.86 -3.820550413e+00 -4.537617375e+00 -4.662001225e+00 2.88 -3.753048690e+00 -4.496868849e+00 -4.629888500e+00 2.90 -3.684557391e+00 -4.453487685e+00 -4.596034628e+00 2.92 -3.615147045e+00 -4.407397816e+00 -4.560243502e+00 2.94 -3.544878406e+00 -4.358607226e+00 -4.522375204e+00 2.96 -3.473792793e+00 -4.307194770e+00 -4.482332214e+00 2.98 -3.401940204e+00 -4.253288327e+00 -4.440070139e+00 3.00 -3.329384057e+00 -4.197057666e+00 -4.395566854e+00 3.02 -3.256207361e+00 -4.138725268e+00 -4.348839331e+00 3.04 -3.182515691e+00 -4.078529309e+00 -4.299936669e+00 3.06 -3.108437176e+00 -4.016712153e+00 -4.248948754e+00 3.08 -3.034120019e+00 -3.953497989e+00 -4.196039728e+00 3.10 -2.959728188e+00 -3.889098347e+00 -4.141404253e+00 3.12 -2.885435817e+00 -3.823703561e+00 -4.085250461e+00 3.14 -2.811420701e+00 -3.757490003e+00 -4.027793749e+00 3.16 -2.737857133e+00 -3.690604563e+00 -3.969246943e+00 3.18 -2.664908422e+00 -3.623175291e+00 -3.909807432e+00 3.20 -2.592719669e+00 -3.555309831e+00 -3.849642112e+00 3.22 -2.521411700e+00 -3.487098104e+00 -3.788881532e+00 3.24 -2.451077034e+00 -3.418616586e+00 -3.727604631e+00 3.26 -2.381778504e+00 -3.349933832e+00 -3.665845812e+00 3.28 -2.313550494e+00 -3.281116276e+00 -3.603600723e+00 3.30 -2.246402276e+00 -3.212232916e+00 -3.540838811e+00 3.32 -2.180322609e+00 -3.143357678e+00 -3.477518177e+00 3.34 -2.115284841e+00 -3.074569029e+00 -3.413599995e+00 3.36 -2.051251996e+00 -3.005947406e+00 -3.349060347e+00 3.38 -1.988181648e+00 -2.937571745e+00 -3.283898309e+00 3.40 -1.926030587e+00 -2.869515326e+00 -3.218139959e+00 3.42 -1.864755627e+00 -2.801848815e+00 -3.151838725e+00 3.44 -1.804333835e+00 -2.734632245e+00 -3.085072874e+00 3.46 -1.744741706e+00 -2.667920933e+00 -3.017941200e+00 3.48 -1.685976840e+00 -2.601764751e+00 -2.950557950e+00 3.50 -1.628056156e+00 -2.536208586e+00 -2.883044547e+00 3.52 -1.571017749e+00 -2.471292363e+00 -2.815539517e+00 3.54 -1.514921329e+00 -2.407050672e+00 -2.748173210e+00 3.56 -1.459847084e+00 -2.343512239e+00 -2.681081865e+00 3.58 -1.405892891e+00 -2.280699519e+00 -2.614402499e+00 3.60 -1.353169803e+00 -2.218628637e+00 -2.548272384e+00 3.62 -1.301795757e+00 -2.157309884e+00 -2.482828210e+00 3.64 -1.251887621e+00 -2.096748871e+00 -2.418204274e+00 3.66 -1.203552089e+00 -2.036948398e+00 -2.354529388e+00 3.68 -1.156876420e+00 -1.977911014e+00 -2.291922593e+00 3.70 -1.111920381e+00 -1.919642194e+00 -2.230488338e+00 3.72 -1.068710795e+00 -1.862153911e+00 -2.170312021e+00 3.74 -1.027239697e+00 -1.805468325e+00 -2.111456882e+00 3.76 -9.874663784e-01 -1.749621125e+00 -2.053962852e+00 3.78 -9.493228560e-01 -1.694663996e+00 -1.997847487e+00 3.80 -9.127217251e-01 -1.640665601e+00 -1.943108606e+00 3.82 -8.775651112e-01 -1.587710543e+00 -1.889727972e+00 3.84 -8.437535022e-01 -1.535895980e+00 -1.837675274e+00 3.86 -8.111934969e-01 -1.485325903e+00 -1.786911840e+00 3.88 -7.798038247e-01 -1.436103570e+00 -1.737393706e+00 3.90 -7.495192829e-01 -1.388323003e+00 -1.689073909e+00 3.92 -7.202909420e-01 -1.342059422e+00 -1.641901226e+00 3.94 -6.920921574e-01 -1.297368195e+00 -1.595832804e+00 3.96 -6.649061081e-01 -1.254271686e+00 -1.550816026e+00 3.98 -6.387291660e-01 -1.212764290e+00 -1.506801699e+00 4.00 -6.135642269e-01 -1.172812298e+00 -1.463740448e+00 4.02 -5.894156627e-01 -1.134357673e+00 -1.421582508e+00 4.04 -5.662846420e-01 -1.097323204e+00 -1.380277504e+00 4.06 -5.441653823e-01 -1.061618146e+00 -1.339774288e+00 4.08 -5.230427087e-01 -1.027143646e+00 -1.300020870e+00 4.10 -5.028910510e-01 -9.937936203e-01 -1.260964497e+00 4.12 -4.836747751e-01 -9.614747324e-01 -1.222551927e+00 4.14 -4.653495750e-01 -9.300838602e-01 -1.184729933e+00 4.16 -4.478645595e-01 -8.995282111e-01 -1.147446076e+00 4.18 -4.311646652e-01 -8.697221496e-01 -1.110649795e+00 4.20 -4.151930857e-01 -8.405884333e-01 -1.074293838e+00 4.22 -3.998934965e-01 -8.120592602e-01 -1.038336039e+00 4.24 -3.852119510e-01 -7.840772549e-01 -1.002741437e+00 4.26 -3.710983126e-01 -7.565964582e-01 -9.674846591e-01 4.28 -3.575072667e-01 -7.295833192e-01 -9.325524717e-01 4.30 -3.443998404e-01 -7.030176205e-01 -8.979463022e-01 4.32 -3.317431697e-01 -6.768932078e-01 -8.636844971e-01 4.34 -3.195106417e-01 -6.512183510e-01 -8.298040021e-01 4.36 -3.076798031e-01 -6.260155426e-01 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-3.001989095e-01 -3.627553554e-01 4.74 -1.519179814e-01 -2.896463450e-01 -3.494870963e-01 4.76 -1.467911730e-01 -2.796578055e-01 -3.370255968e-01 4.78 -1.418762220e-01 -2.701866176e-01 -3.252975548e-01 4.80 -1.371596628e-01 -2.611860707e-01 -3.142346474e-01 4.82 -1.326289790e-01 -2.526229677e-01 -3.037747492e-01 4.84 -1.282725997e-01 -2.444569282e-01 -2.938616142e-01 4.86 -1.240798635e-01 -2.366548670e-01 -2.844446662e-01 4.88 -1.200409636e-01 -2.291869936e-01 -2.754787765e-01 4.90 -1.161468789e-01 -2.220265805e-01 -2.669239090e-01 4.92 -1.123892990e-01 -2.151496963e-01 -2.587446920e-01 4.94 -1.087605474e-01 -2.085349252e-01 -2.509099612e-01 4.96 -1.052535050e-01 -2.021630876e-01 -2.433923011e-01 4.98 -1.018615380e-01 -1.960169743e-01 -2.361676058e-01 5.00 -9.857842876e-02 -1.900810979e-01 -2.292146699e-01 5.02 -9.539831290e-02 -1.843414676e-01 -2.225148146e-01 5.04 -9.231562099e-02 -1.787853882e-01 -2.160515531e-01 5.06 -8.932502585e-02 -1.734012829e-01 -2.098102940e-01 5.08 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-1.252581493e-01 5.44 -4.362318365e-02 -9.369460711e-02 -1.217381681e-01 5.46 -4.149694789e-02 -9.041438451e-02 -1.183148134e-01 5.48 -3.937746634e-02 -8.722641201e-02 -1.149848759e-01 5.50 -3.726534268e-02 -8.413387184e-02 -1.117452286e-01 5.52 -3.516244081e-02 -8.113975904e-02 -1.085928143e-01 5.54 -3.307197818e-02 -7.824662691e-02 -1.055230126e-01 5.56 -3.099856720e-02 -7.545636139e-02 -1.025363589e-01 5.58 -2.894818832e-02 -7.277000332e-02 -9.962803966e-02 5.60 -2.692808175e-02 -7.018755089e-02 -9.679517662e-02 5.62 -2.494655145e-02 -6.770802853e-02 -9.403491014e-02 5.64 -2.301268293e-02 -6.532958590e-02 -9.134439027e-02 5.66 -2.113598649e-02 -6.304941951e-02 -8.872076848e-02 5.68 -1.932598735e-02 -6.086389192e-02 -8.616118956e-02 5.70 -1.759167385e-02 -5.876867898e-02 -8.366278407e-02 5.72 -1.594112812e-02 -5.675892877e-02 -8.122266116e-02 5.74 -1.438153874e-02 -5.482941889e-02 -7.883790215e-02 5.76 -1.291856387e-02 -5.297470174e-02 -7.650555489e-02 5.78 -1.155612141e-02 -5.118923120e-02 -7.422262937e-02 5.80 -1.029630313e-02 -4.946746737e-02 -7.198609471e-02 5.82 -9.139398019e-03 -4.780395886e-02 -6.979287813e-02 5.84 -8.084011818e-03 -4.619340424e-02 -6.763986636e-02 5.86 -7.127262058e-03 -4.463069536e-02 -6.552391004e-02 5.88 -6.265023747e-03 -4.311094640e-02 -6.344183188e-02 5.90 -5.492200648e-03 -4.162951223e-02 -6.139043937e-02 5.92 -4.802999522e-03 -4.018200005e-02 -5.936654293e-02 5.94 -4.191189290e-03 -3.876427766e-02 -5.736698031e-02 5.96 -3.650332305e-03 -3.737248140e-02 -5.538864838e-02 5.98 -3.173980167e-03 -3.600302635e-02 -5.342854298e-02 6.00 -2.755831092e-03 -3.465262071e-02 -5.148380771e-02