# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1 # composition = H3Ni # 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 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 8.918612221e+01 nan nan 0.92 7.910812536e+01 nan nan 0.94 6.997784917e+01 nan nan 0.96 6.166651408e+01 nan nan 0.98 5.407953106e+01 nan nan 1.00 4.714849707e+01 8.057277338e+01 9.413823337e+01 1.02 4.081946003e+01 7.197121833e+01 8.459730354e+01 1.04 3.503610831e+01 6.410380985e+01 7.586312313e+01 1.06 2.975058941e+01 5.691161434e+01 6.786048015e+01 1.08 2.492705517e+01 5.031414214e+01 6.053164859e+01 1.10 2.055687135e+01 4.424921344e+01 5.379775501e+01 1.12 1.682676615e+01 3.868654678e+01 4.759642111e+01 1.14 1.366931765e+01 3.358293772e+01 4.188919581e+01 1.16 1.098596245e+01 2.888226723e+01 3.662567836e+01 1.18 8.708041779e+00 2.454384633e+01 3.176316199e+01 1.20 6.781930307e+00 2.060472041e+01 2.728374756e+01 1.22 5.154539898e+00 1.717806407e+01 2.315942019e+01 1.24 3.780738120e+00 1.423961794e+01 1.946192567e+01 1.26 2.627761085e+00 1.170994617e+01 1.628655549e+01 1.28 1.665250777e+00 9.527789412e+00 1.356658764e+01 1.30 8.615364644e-01 7.648177572e+00 1.123808170e+01 1.32 1.892292433e-01 6.034952847e+00 9.235623591e+00 1.34 -3.718610592e-01 4.655101280e+00 7.502913925e+00 1.36 -8.381012488e-01 3.477388060e+00 6.002585184e+00 1.38 -1.223361954e+00 2.470440341e+00 4.706708883e+00 1.40 -1.540480723e+00 1.604997708e+00 3.591214132e+00 1.42 -1.801902837e+00 8.592918237e-01 2.632397787e+00 1.44 -2.017214881e+00 2.188415585e-01 1.806830787e+00 1.46 -2.193593808e+00 -3.278893040e-01 1.093123312e+00 1.48 -2.336805621e+00 -7.910684197e-01 4.748513976e-01 1.50 -2.450997995e+00 -1.180343630e+00 -5.952778173e-02 1.52 -2.539795034e+00 -1.504362809e+00 -5.185784616e-01 1.54 -2.606920418e+00 -1.771126896e+00 -9.106270264e-01 1.56 -2.655826338e+00 -1.988801783e+00 -1.243485482e+00 1.58 -2.689255554e+00 -2.165976439e+00 -1.524697648e+00 1.60 -2.709089758e+00 -2.309996876e+00 -1.761534145e+00 1.62 -2.716728918e+00 -2.426570779e+00 -1.960206343e+00 1.64 -2.714407335e+00 -2.520694407e+00 -2.126508903e+00 1.66 -2.706351869e+00 -2.596394233e+00 -2.265143101e+00 1.68 -2.694819009e+00 -2.655834048e+00 -2.379582134e+00 1.70 -2.680015015e+00 -2.700030501e+00 -2.472726024e+00 1.72 -2.662555599e+00 -2.730478722e+00 -2.547309394e+00 1.74 -2.643140061e+00 -2.748429187e+00 -2.605729151e+00 1.76 -2.622432664e+00 -2.754645312e+00 -2.649986939e+00 1.78 -2.601001413e+00 -2.750094144e+00 -2.681725946e+00 1.80 -2.579130050e+00 -2.737538021e+00 -2.702144752e+00 1.82 -2.556912462e+00 -2.720297180e+00 -2.711788405e+00 1.84 -2.534325228e+00 -2.699809154e+00 -2.711310321e+00 1.86 -2.511223922e+00 -2.677016733e+00 -2.703548398e+00 1.88 -2.487339104e+00 -2.652698423e+00 -2.691961792e+00 1.90 -2.462309052e+00 -2.627523082e+00 -2.677919028e+00 1.92 -2.435864610e+00 -2.601992784e+00 -2.662141196e+00 1.94 -2.408301398e+00 -2.576482286e+00 -2.644873147e+00 1.96 -2.380443970e+00 -2.551302328e+00 -2.626161532e+00 1.98 -2.352533717e+00 -2.526695747e+00 -2.606244697e+00 2.00 -2.324507780e+00 -2.502812667e+00 -2.585361804e+00 2.02 -2.296320640e+00 -2.479648932e+00 -2.563673326e+00 2.04 -2.267975741e+00 -2.456951523e+00 -2.541261168e+00 2.06 -2.239538937e+00 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-1.825981743e+00 -2.042280914e+00 -2.108751418e+00 2.44 -1.808493179e+00 -2.021535007e+00 -2.090926122e+00 2.46 -1.790363925e+00 -2.001051923e+00 -2.073090618e+00 2.48 -1.771639066e+00 -1.980885073e+00 -2.055290608e+00 2.50 -1.752146670e+00 -1.961055082e+00 -2.037576314e+00 2.52 -1.732492871e+00 -1.941570735e+00 -2.020000299e+00 2.54 -1.713825908e+00 -1.922435015e+00 -2.002614518e+00 2.56 -1.694417335e+00 -1.903640005e+00 -1.985466601e+00 2.58 -1.671597775e+00 -1.885162967e+00 -1.968595318e+00 2.60 -1.645097814e+00 -1.866963510e+00 -1.952025271e+00 2.62 -1.617629435e+00 -1.848979890e+00 -1.935761103e+00 2.64 -1.591258705e+00 -1.831127614e+00 -1.919782213e+00 2.66 -1.566782386e+00 -1.813302502e+00 -1.904038743e+00 2.68 -1.544254164e+00 -1.795387051e+00 -1.888450832e+00 2.70 -1.523306106e+00 -1.776961413e+00 -1.872911738e+00 2.72 -1.503334039e+00 -1.759298146e+00 -1.857294495e+00 2.74 -1.483632190e+00 -1.742346859e+00 -1.841468186e+00 2.76 -1.463665662e+00 -1.721613439e+00 -1.825338151e+00 2.78 -1.443272053e+00 -1.695927934e+00 -1.808876286e+00 2.80 -1.422452611e+00 -1.669122936e+00 -1.792084401e+00 2.82 -1.401220261e+00 -1.644193329e+00 -1.774966230e+00 2.84 -1.379588288e+00 -1.621964580e+00 -1.757524530e+00 2.86 -1.357570393e+00 -1.602129207e+00 -1.739761951e+00 2.88 -1.335180669e+00 -1.583904828e+00 -1.721679891e+00 2.90 -1.312433609e+00 -1.566359605e+00 -1.703280754e+00 2.92 -1.289344232e+00 -1.548701602e+00 -1.684564537e+00 2.94 -1.265928044e+00 -1.530583683e+00 -1.665533755e+00 2.96 -1.242200938e+00 -1.511971558e+00 -1.646187384e+00 2.98 -1.218179406e+00 -1.492877899e+00 -1.626525959e+00 3.00 -1.193880379e+00 -1.473316263e+00 -1.606539856e+00 3.02 -1.169321178e+00 -1.453300529e+00 -1.586039227e+00 3.04 -1.144519759e+00 -1.432844922e+00 -1.565372442e+00 3.06 -1.119494277e+00 -1.411964040e+00 -1.544933238e+00 3.08 -1.094263502e+00 -1.390672867e+00 -1.524939197e+00 3.10 -1.068846434e+00 -1.368986792e+00 -1.504247042e+00 3.12 -1.043262483e+00 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-6.574791229e-01 3.84 -1.812218891e-01 -4.632812523e-01 -6.346526416e-01 3.86 -1.636522219e-01 -4.416608368e-01 -6.119645280e-01 3.88 -1.466839528e-01 -4.205693465e-01 -5.894291340e-01 3.90 -1.303467290e-01 -4.001114963e-01 -5.670603756e-01 3.92 -1.146657723e-01 -3.803661824e-01 -5.448712716e-01 3.94 -9.961346218e-02 -3.613905220e-01 -5.228756187e-01 3.96 -8.532019029e-02 -3.432215043e-01 -5.010875756e-01 3.98 -7.192293636e-02 -3.258753301e-01 -4.795197705e-01 4.00 -5.953406360e-02 -3.093475750e-01 -4.581851721e-01 4.02 -4.824421403e-02 -2.936106265e-01 -4.370976425e-01 4.04 -3.812442086e-02 -2.786091377e-01 -4.162714305e-01 4.06 -2.922719605e-02 -2.642549604e-01 -3.957184285e-01 4.08 -2.158624094e-02 -2.504322816e-01 -3.754517421e-01 4.10 -1.521431861e-02 -2.370138356e-01 -3.554859597e-01 4.12 -1.009878569e-02 -2.238925440e-01 -3.358364308e-01 4.14 -6.194463881e-03 -2.110110690e-01 -3.165165825e-01 4.16 -3.414250190e-03 -1.983575201e-01 -2.975362802e-01 4.18 -1.619630195e-03 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