# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu-H # implementation = 2018--Zhou-X-W--Al-Cu-H--LAMMPS--ipr1 # composition = Al3H # 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 2.00 -1.807606970e+00 -5.716724031e-01 -9.167887525e-02 2.02 -1.894149265e+00 -7.619831287e-01 -3.163760873e-01 2.04 -1.969469506e+00 -9.343986390e-01 -5.235893228e-01 2.06 -2.033960207e+00 -1.089990975e+00 -7.146512225e-01 2.08 -2.088008405e+00 -1.229973818e+00 -8.908162043e-01 2.10 -2.132035848e+00 -1.355691871e+00 -1.053193953e+00 2.12 -2.166330061e+00 -1.468365561e+00 -1.202236340e+00 2.14 -2.191911887e+00 -1.569860993e+00 -1.339467206e+00 2.16 -2.209520662e+00 -1.661567511e+00 -1.465259999e+00 2.18 -2.220122007e+00 -1.744820622e+00 -1.579926376e+00 2.20 -2.224873599e+00 -1.820591814e+00 -1.683728328e+00 2.22 -2.225068942e+00 -1.889960033e+00 -1.776899541e+00 2.24 -2.222067943e+00 -1.954144402e+00 -1.859674118e+00 2.26 -2.216770273e+00 -2.013442423e+00 -1.932320219e+00 2.28 -2.211074962e+00 -2.067930542e+00 -1.995173063e+00 2.30 -2.206043357e+00 -2.117461146e+00 -2.048660661e+00 2.32 -2.202274165e+00 -2.161718447e+00 -2.093316587e+00 2.34 -2.199981426e+00 -2.200329358e+00 -2.129776500e+00 2.36 -2.198900325e+00 -2.232996264e+00 -2.158758958e+00 2.38 -2.198299452e+00 -2.259601752e+00 -2.181036819e+00 2.40 -2.197127168e+00 -2.280247742e+00 -2.197407441e+00 2.42 -2.194265592e+00 -2.295200523e+00 -2.208671322e+00 2.44 -2.188803471e+00 -2.304860919e+00 -2.215183972e+00 2.46 -2.180215080e+00 -2.309932799e+00 -2.218369020e+00 2.48 -2.168374511e+00 -2.311003504e+00 -2.219080941e+00 2.50 -2.153335067e+00 -2.308769672e+00 -2.218076083e+00 2.52 -2.135270964e+00 -2.304002517e+00 -2.216198222e+00 2.54 -2.114741752e+00 -2.297496575e+00 -2.214332741e+00 2.56 -2.091758392e+00 -2.290002930e+00 -2.213332433e+00 2.58 -2.066332392e+00 -2.281981181e+00 -2.213918705e+00 2.60 -2.038476295e+00 -2.273977005e+00 -2.216569989e+00 2.62 -2.008204370e+00 -2.266460085e+00 -2.221423329e+00 2.64 -1.975533488e+00 -2.259285978e+00 -2.228220389e+00 2.66 -1.940484160e+00 -2.252092822e+00 -2.236327599e+00 2.68 -1.903081824e+00 -2.244362032e+00 -2.244842733e+00 2.70 -1.863358366e+00 -2.235521748e+00 -2.252769140e+00 2.72 -1.821354011e+00 -2.225064696e+00 -2.259209272e+00 2.74 -1.777119429e+00 -2.212640277e+00 -2.263513336e+00 2.76 -1.730718342e+00 -2.198089785e+00 -2.265336492e+00 2.78 -1.682230429e+00 -2.181418665e+00 -2.264598496e+00 2.80 -1.631754721e+00 -2.162614641e+00 -2.261211993e+00 2.82 -1.579413421e+00 -2.141916738e+00 -2.255487728e+00 2.84 -1.525356146e+00 -2.119541200e+00 -2.247723934e+00 2.86 -1.469764601e+00 -2.095519580e+00 -2.237962937e+00 2.88 -1.412857446e+00 -2.069887576e+00 -2.226269877e+00 2.90 -1.354895257e+00 -2.042685746e+00 -2.212726470e+00 2.92 -1.296185178e+00 -2.013960210e+00 -2.197423181e+00 2.94 -1.237084705e+00 -1.983763418e+00 -2.180451333e+00 2.96 -1.178003816e+00 -1.952154932e+00 -2.161895664e+00 2.98 -1.119404366e+00 -1.919202163e+00 -2.141733056e+00 3.00 -1.061795414e+00 -1.884981072e+00 -2.120102153e+00 3.02 -1.005722889e+00 -1.849576720e+00 -2.097139466e+00 3.04 -9.517521667e-01 -1.813083634e+00 -2.072851208e+00 3.06 -9.004426046e-01 -1.775605910e+00 -2.047243385e+00 3.08 -8.523141630e-01 -1.737256909e+00 -2.020321869e+00 3.10 -8.078081317e-01 -1.698158509e+00 -1.992092497e+00 3.12 -7.672461593e-01 -1.658439728e+00 -1.962561181e+00 3.14 -7.307939023e-01 -1.618234715e+00 -1.931734049e+00 3.16 -6.984366888e-01 -1.577679924e+00 -1.899617625e+00 3.18 -6.699736531e-01 -1.536910593e+00 -1.866219034e+00 3.20 -6.450337987e-01 -1.496056445e+00 -1.831546258e+00 3.22 -6.231127655e-01 -1.455236863e+00 -1.795608398e+00 3.24 -6.036244251e-01 -1.414555744e+00 -1.758416033e+00 3.26 -5.859582150e-01 -1.374096440e+00 -1.719981564e+00 3.28 -5.695326068e-01 -1.333917264e+00 -1.680319656e+00 3.30 -5.538369415e-01 -1.294048096e+00 -1.639447711e+00 3.32 -5.384573473e-01 -1.254488638e+00 -1.597386367e+00 3.34 -5.230862066e-01 -1.215208790e+00 -1.554160107e+00 3.36 -5.075175769e-01 -1.176151325e+00 -1.509797845e+00 3.38 -4.916328315e-01 -1.137237000e+00 -1.464333626e+00 3.40 -4.753812125e-01 -1.098371666e+00 -1.417807334e+00 3.42 -4.587565918e-01 -1.059454852e+00 -1.370265434e+00 3.44 -4.416691473e-01 -1.020388998e+00 -1.321761765e+00 3.46 -4.242427135e-01 -9.810883940e-01 -1.272358322e+00 3.48 -4.066366296e-01 -9.414869669e-01 -1.222126067e+00 3.50 -3.888756541e-01 -9.015441915e-01 -1.171145709e+00 3.52 -3.709878543e-01 -8.612486916e-01 -1.119508428e+00 3.54 -3.530048105e-01 -8.206194675e-01 -1.067316559e+00 3.56 -3.349617820e-01 -7.797049436e-01 -1.014684157e+00 3.58 -3.168978288e-01 -7.385803148e-01 -9.617374316e-01 3.60 -2.988558730e-01 -6.973437964e-01 -9.086149952e-01 3.62 -2.808827019e-01 -6.561077858e-01 -8.554679308e-01 3.64 -2.630288629e-01 -6.150017868e-01 -8.024595210e-01 3.66 -2.453484778e-01 -5.740935884e-01 -7.497647254e-01 3.68 -2.278989339e-01 -5.336542231e-01 -6.975692715e-01 3.70 -2.107404479e-01 -4.938284595e-01 -6.460683409e-01 3.72 -1.939354882e-01 -4.547666162e-01 -5.954648055e-01 3.74 -1.775480561e-01 -4.166228737e-01 -5.459670138e-01 3.76 -1.616428061e-01 -3.795532022e-01 -4.977860618e-01 3.78 -1.462840294e-01 -3.437129608e-01 -4.511326204e-01 3.80 -1.315344851e-01 -3.092541298e-01 -4.062132686e-01 3.82 -1.174541187e-01 -2.763222721e-01 -3.632264580e-01 3.84 -1.040986845e-01 -2.450532590e-01 -3.223581558e-01 3.86 -9.151830458e-02 -2.155698420e-01 -2.837772721e-01 3.88 -7.975602182e-02 -1.879782035e-01 -2.476310517e-01 3.90 -6.884639165e-02 -1.623645975e-01 -2.140405765e-01 3.92 -5.881417852e-02 -1.387922368e-01 -1.830965921e-01 3.94 -4.967321604e-02 -1.172985719e-01 -1.548558547e-01 3.96 -4.142549216e-02 -9.789311208e-02 -1.293382058e-01 3.98 -3.406050615e-02 -8.055590245e-02 -1.065245352e-01 4.00 -2.755493398e-02 -6.523674709e-02 -8.635575694e-02 4.02 -2.187262153e-02 -5.185520074e-02 -6.873282054e-02 4.04 -1.696496347e-02 -4.030137125e-02 -5.351774159e-02 4.06 -1.277192376e-02 -3.043781072e-02 -4.053573327e-02 4.08 -9.224775694e-03 -2.210405457e-02 -2.957953428e-02 4.10 -6.254212759e-03 -1.513003868e-02 -2.042140703e-02 4.12 -3.813001928e-03 -9.377686732e-03 -1.285334266e-02 4.14 -1.920042703e-03 -4.842043753e-03 -6.805347950e-03 4.16 -6.714030041e-04 -1.741881823e-03 -2.526098494e-03 4.18 6.619998008e-05 1.765332802e-04 2.647999203e-04 4.20 4.225389976e-17 2.345010081e-16 7.618839438e-17 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00