# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = 2014--Bonny-G--W-H-He-1--LAMMPS--ipr1 # composition = HHe3 # 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 2.203941465e+01 nan nan 0.88 1.993547825e+01 nan nan 0.90 1.800555345e+01 nan nan 0.92 1.623374876e+01 nan nan 0.94 1.460537839e+01 nan nan 0.96 1.310607826e+01 nan nan 0.98 1.172146795e+01 1.848565531e+01 1.996067714e+01 1.00 1.043611907e+01 1.682442880e+01 1.831284914e+01 1.02 9.235665600e+00 1.525816497e+01 1.678496110e+01 1.04 8.114490577e+00 1.378212587e+01 1.535308039e+01 1.06 7.068781768e+00 1.239178837e+01 1.399759841e+01 1.08 6.094697429e+00 1.108532650e+01 1.271376974e+01 1.10 5.189801925e+00 9.861114732e+00 1.149986927e+01 1.12 4.352883471e+00 8.717199177e+00 1.035408758e+01 1.14 3.581955253e+00 7.651625939e+00 9.274601760e+00 1.16 2.874804744e+00 6.662441121e+00 8.258599368e+00 1.18 2.229240119e+00 5.747527383e+00 7.302745360e+00 1.20 1.643143024e+00 4.903884725e+00 6.405687832e+00 1.22 1.114403132e+00 4.127720449e+00 5.566308924e+00 1.24 6.409101171e-01 3.414737448e+00 4.783461379e+00 1.26 2.205536509e-01 2.761910446e+00 4.055752683e+00 1.28 -1.487765975e-01 2.166868769e+00 3.381668398e+00 1.30 -4.692681171e-01 1.627246484e+00 2.759693203e+00 1.32 -7.433863229e-01 1.140629743e+00 2.188311778e+00 1.34 -9.737352531e-01 7.044387141e-01 1.666008801e+00 1.36 -1.163036092e+00 3.160576503e-01 1.191158256e+00 1.38 -1.314248354e+00 -2.712919357e-02 7.615672523e-01 1.40 -1.430406809e+00 -3.277375632e-01 3.748619231e-01 1.42 -1.514546256e+00 -5.883832044e-01 2.867111817e-02 1.44 -1.569701497e+00 -8.116818627e-01 -2.791399412e-01 1.46 -1.598907334e+00 -1.000249284e+00 -5.502936378e-01 1.48 -1.605198567e+00 -1.156701214e+00 -7.864708958e-01 1.50 -1.591609999e+00 -1.283653398e+00 -9.893526393e-01 1.52 -1.561203474e+00 -1.383755715e+00 -1.160673880e+00 1.54 -1.517149011e+00 -1.459794571e+00 -1.302385980e+00 1.56 -1.462643676e+00 -1.514590454e+00 -1.416494388e+00 1.58 -1.400884531e+00 -1.550662566e+00 -1.505004554e+00 1.60 -1.335068642e+00 -1.569736083e+00 -1.569921928e+00 1.62 -1.268368254e+00 -1.573504607e+00 -1.613251958e+00 1.64 -1.202768917e+00 -1.563665117e+00 -1.637000095e+00 1.66 -1.138712397e+00 -1.541914592e+00 -1.643171787e+00 1.68 -1.076266613e+00 -1.509950010e+00 -1.633772485e+00 1.70 -1.015497838e+00 -1.469468350e+00 -1.610807638e+00 1.72 -9.564831759e-01 -1.422166591e+00 -1.576282694e+00 1.74 -8.992995165e-01 -1.369738969e+00 -1.532207280e+00 1.76 -8.440132571e-01 -1.313771544e+00 -1.480755825e+00 1.78 -7.906770708e-01 -1.255708905e+00 -1.424318284e+00 1.80 -7.393412161e-01 -1.196986092e+00 -1.365299160e+00 1.82 -6.900294296e-01 -1.138798139e+00 -1.305742950e+00 1.84 -6.427426107e-01 -1.081380177e+00 -1.246254163e+00 1.86 -5.974809126e-01 -1.024771075e+00 -1.187077299e+00 1.88 -5.542444883e-01 -9.691240619e-01 -1.128456861e+00 1.90 -5.130334912e-01 -9.146108266e-01 -1.070637351e+00 1.92 -4.738480744e-01 -8.614030566e-01 -1.013863271e+00 1.94 -4.366883911e-01 -8.096724399e-01 -9.583791254e-01 1.96 -4.015545945e-01 -7.595906642e-01 -9.044294153e-01 1.98 -3.684468377e-01 -7.113294175e-01 -8.522586436e-01 2.00 -3.373652741e-01 -6.650603881e-01 -8.021113135e-01 2.02 -3.082974167e-01 -6.209174548e-01 -7.541752140e-01 2.04 -2.811802208e-01 -5.788832679e-01 -7.084112911e-01 2.06 -2.559380011e-01 -5.389026682e-01 -6.647237769e-01 2.08 -2.324950727e-01 -5.009204971e-01 -6.230169039e-01 2.10 -2.107757505e-01 -4.648815956e-01 -5.831949048e-01 2.12 -1.907043497e-01 -4.307308051e-01 -5.451620121e-01 2.14 -1.722051852e-01 -3.984129667e-01 -5.088302483e-01 2.16 -1.552025721e-01 -3.678729218e-01 -4.741496401e-01 2.18 -1.396208253e-01 -3.390555117e-01 -4.410817858e-01 2.20 -1.253842599e-01 -3.119055774e-01 -4.095882865e-01 2.22 -1.124171909e-01 -2.863679603e-01 -3.796307432e-01 2.24 -1.006439332e-01 -2.623875016e-01 -3.511707571e-01 2.26 -8.998880205e-02 -2.399090426e-01 -3.241699293e-01 2.28 -8.037611230e-02 -2.188774245e-01 -2.985898608e-01 2.30 -7.173017901e-02 -1.992374886e-01 -2.743921529e-01 2.32 -6.397531719e-02 -1.809340760e-01 -2.515384064e-01 2.34 -5.703584186e-02 -1.639120281e-01 -2.299902227e-01 2.36 -5.083606804e-02 -1.481161860e-01 -2.097092027e-01 2.38 -4.530031074e-02 -1.334913911e-01 -1.906569475e-01 2.40 -4.035288498e-02 -1.199824846e-01 -1.727950584e-01 2.42 -3.591810578e-02 -1.075343076e-01 -1.560851362e-01 2.44 -3.192028815e-02 -9.609170152e-02 -1.404887823e-01 2.46 -2.828516612e-02 -8.559950753e-02 -1.259675975e-01 2.48 -2.496751022e-02 -7.600256688e-02 -1.124831832e-01 2.50 -2.194925747e-02 -6.724572082e-02 -9.999714025e-02 2.52 -1.921338939e-02 -5.927381059e-02 -8.847106988e-02 2.54 -1.674288753e-02 -5.203167743e-02 -7.786657315e-02 2.56 -1.452073341e-02 -4.546416258e-02 -6.814525116e-02 2.58 -1.252990856e-02 -3.951610730e-02 -5.926870502e-02 2.60 -1.075339452e-02 -3.413235721e-02 -5.119853581e-02 2.62 -9.174172827e-03 -2.926422976e-02 -4.389634464e-02 2.64 -7.775225005e-03 -2.488248840e-02 -3.732373261e-02 2.66 -6.539532589e-03 -2.096153387e-02 -3.144230080e-02 2.68 -5.450077112e-03 -1.747576689e-02 -2.621365033e-02 2.70 -4.490719679e-03 -1.439958820e-02 -2.159938229e-02 2.72 -3.651121422e-03 -1.170739852e-02 -1.756109778e-02 2.74 -2.923292188e-03 -9.373598598e-03 -1.406039790e-02 2.76 -2.299248475e-03 -7.372589157e-03 -1.105888373e-02 2.78 -1.771006783e-03 -5.678770930e-03 -8.518156395e-03 2.80 -1.330583609e-03 -4.266544651e-03 -6.399816976e-03 2.82 -9.699954506e-04 -3.110311050e-03 -4.665466576e-03 2.84 -6.812588076e-04 -2.184470861e-03 -3.276706292e-03 2.86 -4.563901777e-04 -1.463424815e-03 -2.195137223e-03 2.88 -2.874060594e-04 -9.215736446e-04 -1.382360467e-03 2.90 -1.663229511e-04 -5.333180814e-04 -7.999771220e-04 2.92 -8.515735095e-05 -2.730588577e-04 -4.095882865e-04 2.94 -3.592575743e-05 -1.151967056e-04 -1.727950584e-04 2.96 -1.064466887e-05 -3.413235722e-05 -5.119853583e-05 2.98 -1.330583612e-06 -4.266544661e-06 -6.399816992e-06 3.00 2.411386440e-13 7.732161925e-13 1.159824289e-12 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 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