# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Tehranchi-A-Curtin-W-A--Ni-H # implementation = EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 # composition = HNi3 # 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 2024-11-27 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 1.094623584e+01 nan nan 1.50 9.363649759e+00 nan nan 1.52 7.938436390e+00 nan nan 1.54 6.652998505e+00 nan nan 1.56 5.494450738e+00 nan nan 1.58 4.452921012e+00 nan nan 1.60 3.517511920e+00 nan nan 1.62 2.679126145e+00 1.051977491e+01 nan 1.64 1.928428697e+00 9.091290162e+00 nan 1.66 1.256208920e+00 7.792899933e+00 1.098358182e+01 1.68 6.548033289e-01 6.612390009e+00 9.554745479e+00 1.70 1.188464300e-01 5.541642787e+00 8.258093212e+00 1.72 -3.557322620e-01 4.574518969e+00 7.082183272e+00 1.74 -7.739477603e-01 3.702633169e+00 6.015222598e+00 1.76 -1.141476331e+00 2.917087923e+00 5.045592480e+00 1.78 -1.465133975e+00 2.209438080e+00 4.162460478e+00 1.80 -1.750957664e+00 1.571650090e+00 3.356766877e+00 1.82 -2.002887908e+00 9.963534503e-01 2.622243181e+00 1.84 -2.223932902e+00 4.772832265e-01 1.954576834e+00 1.86 -2.416707033e+00 9.798929067e-03 1.349204174e+00 1.88 -2.583489310e+00 -4.095643069e-01 8.017828756e-01 1.90 -2.726230534e+00 -7.847361151e-01 3.083751213e-01 1.92 -2.846776892e+00 -1.120231457e+00 -1.345258947e-01 1.94 -2.947194341e+00 -1.420611687e+00 -5.301964187e-01 1.96 -3.030386265e+00 -1.689881143e+00 -8.823286215e-01 1.98 -3.100095756e+00 -1.931108159e+00 -1.196032854e+00 2.00 -3.159278300e+00 -2.146906459e+00 -1.476749893e+00 2.02 -3.209521120e+00 -2.339601123e+00 -1.728153868e+00 2.04 -3.251593577e+00 -2.511157427e+00 -1.953283285e+00 2.06 -3.285667299e+00 -2.662975402e+00 -2.154993269e+00 2.08 -3.312206501e+00 -2.795869386e+00 -2.335892950e+00 2.10 -3.332100340e+00 -2.910493500e+00 -2.498180901e+00 2.12 -3.345875590e+00 -3.008190071e+00 -2.643335487e+00 2.14 -3.353190877e+00 -3.091033892e+00 -2.771801129e+00 2.16 -3.353025037e+00 -3.161308075e+00 -2.883431253e+00 2.18 -3.344386698e+00 -3.220757744e+00 -2.978822028e+00 2.20 -3.326450108e+00 -3.270534521e+00 -3.059837178e+00 2.22 -3.298495215e+00 -3.311420293e+00 -3.128896053e+00 2.24 -3.260895771e+00 -3.344050350e+00 -3.187896159e+00 2.26 -3.216558155e+00 -3.368979795e+00 -3.238052721e+00 2.28 -3.169503336e+00 -3.386741080e+00 -3.280442660e+00 2.30 -3.121289639e+00 -3.397842921e+00 -3.316097761e+00 2.32 -3.072295129e+00 -3.402720093e+00 -3.345967726e+00 2.34 -3.022871085e+00 -3.401642813e+00 -3.370846691e+00 2.36 -2.973396086e+00 -3.394647269e+00 -3.391230596e+00 2.38 -2.924145194e+00 -3.381490350e+00 -3.407071383e+00 2.40 -2.875164486e+00 -3.361757410e+00 -3.417675001e+00 2.42 -2.826493968e+00 -3.335422483e+00 -3.422075248e+00 2.44 -2.778565191e+00 -3.303768639e+00 -3.419643013e+00 2.46 -2.732032840e+00 -3.269381316e+00 -3.409880439e+00 2.48 -2.687554299e+00 -3.234312890e+00 -3.392228547e+00 2.50 -2.645671281e+00 -3.198900371e+00 -3.366451680e+00 2.52 -2.606623400e+00 -3.162423855e+00 -3.333413657e+00 2.54 -2.570086035e+00 -3.124377454e+00 -3.295634085e+00 2.56 -2.535008483e+00 -3.084784206e+00 -3.255702625e+00 2.58 -2.500016037e+00 -3.043724916e+00 -3.214491101e+00 2.60 -2.464342095e+00 -3.001270506e+00 -3.172271128e+00 2.62 -2.427856782e+00 -2.957521220e+00 -3.129375306e+00 2.64 -2.390533032e+00 -2.912640064e+00 -3.086268973e+00 2.66 -2.352372046e+00 -2.866832039e+00 -3.043504763e+00 2.68 -2.313382336e+00 -2.820326951e+00 -3.001635242e+00 2.70 -2.273541417e+00 -2.773351619e+00 -2.961115421e+00 2.72 -2.232832942e+00 -2.726139745e+00 -2.922168268e+00 2.74 -2.191314084e+00 -2.678933024e+00 -2.884648531e+00 2.76 -2.149172459e+00 -2.631983602e+00 -2.847948895e+00 2.78 -2.106744866e+00 -2.585558463e+00 -2.811205324e+00 2.80 -2.064418483e+00 -2.539934434e+00 -2.773831930e+00 2.82 -2.022442666e+00 -2.495395987e+00 -2.735752146e+00 2.84 -1.980884981e+00 -2.452211855e+00 -2.697032698e+00 2.86 -1.939759474e+00 -2.410597208e+00 -2.657732662e+00 2.88 -1.899075274e+00 -2.370642806e+00 -2.617897686e+00 2.90 -1.858837211e+00 -2.332215077e+00 -2.577556429e+00 2.92 -1.819047600e+00 -2.294865519e+00 -2.536724408e+00 2.94 -1.779705886e+00 -2.257884486e+00 -2.495400952e+00 2.96 -1.740810149e+00 -2.220656193e+00 -2.453571870e+00 2.98 -1.702356310e+00 -2.183039711e+00 -2.411210109e+00 3.00 -1.664336369e+00 -2.145205437e+00 -2.368283127e+00 3.02 -1.626743828e+00 -2.107340035e+00 -2.324764219e+00 3.04 -1.589569522e+00 -2.069552472e+00 -2.280652367e+00 3.06 -1.552803548e+00 -2.031898420e+00 -2.236004504e+00 3.08 -1.516435367e+00 -1.994445815e+00 -2.190975292e+00 3.10 -1.480453759e+00 -1.957268394e+00 -2.145844423e+00 3.12 -1.444846953e+00 -1.920423417e+00 -2.100978843e+00 3.14 -1.409603683e+00 -1.883936766e+00 -2.056706461e+00 3.16 -1.374711138e+00 -1.847811108e+00 -2.013210298e+00 3.18 -1.340158405e+00 -1.812044791e+00 -1.970574552e+00 3.20 -1.305934859e+00 -1.776635848e+00 -1.928879549e+00 3.22 -1.272028932e+00 -1.741578079e+00 -1.888208326e+00 3.24 -1.238430296e+00 -1.706866080e+00 -1.848647049e+00 3.26 -1.205129599e+00 -1.672492752e+00 -1.810281284e+00 3.28 -1.172117974e+00 -1.638450491e+00 -1.773188383e+00 3.30 -1.139387742e+00 -1.604730588e+00 -1.737424312e+00 3.32 -1.106932134e+00 -1.571324734e+00 -1.703004003e+00 3.34 -1.074745596e+00 -1.538222744e+00 -1.669870446e+00 3.36 -1.042823924e+00 -1.505415632e+00 -1.637874011e+00 3.38 -1.011164478e+00 -1.472893690e+00 -1.606764942e+00 3.40 -9.797659237e-01 -1.440646775e+00 -1.576249337e+00 3.42 -9.486287227e-01 -1.408666088e+00 -1.546106880e+00 3.44 -9.177554605e-01 -1.376943099e+00 -1.516255909e+00 3.46 -8.871506101e-01 -1.345468356e+00 -1.486680578e+00 3.48 -8.568209542e-01 -1.314234143e+00 -1.457371504e+00 3.50 -8.267759231e-01 -1.283232778e+00 -1.428319617e+00 3.52 -7.970274323e-01 -1.252457565e+00 -1.399515538e+00 3.54 -7.675906221e-01 -1.221902571e+00 -1.370950346e+00 3.56 -7.384850094e-01 -1.191562423e+00 -1.342613448e+00 3.58 -7.097332940e-01 -1.161433861e+00 -1.314497998e+00 3.60 -6.813625793e-01 -1.131513929e+00 -1.286594881e+00 3.62 -6.534047513e-01 -1.101800999e+00 -1.258895097e+00 3.64 -6.258984058e-01 -1.072295156e+00 -1.231391188e+00 3.66 -5.988869721e-01 -1.042997939e+00 -1.204075394e+00 3.68 -5.724219746e-01 -1.013912531e+00 -1.176940701e+00 3.70 -5.465603772e-01 -9.850441817e-01 -1.149980441e+00 3.72 -5.213670513e-01 -9.564001288e-01 -1.123188452e+00 3.74 -4.969147932e-01 -9.279899299e-01 -1.096559063e+00 3.76 -4.732753064e-01 -8.998258565e-01 -1.070087220e+00 3.78 -4.505256855e-01 -8.719227537e-01 -1.043768460e+00 3.80 -4.287382993e-01 -8.442986394e-01 -1.017598727e+00 3.82 -4.079595386e-01 -8.169756472e-01 -9.915746654e-01 3.84 -3.882082160e-01 -7.899793212e-01 -9.656934385e-01 3.86 -3.694609237e-01 -7.633391359e-01 -9.399527253e-01 3.88 -3.516291374e-01 -7.370891462e-01 -9.143510569e-01 3.90 -3.345587364e-01 -7.112687764e-01 -8.888873998e-01 3.92 -3.180118248e-01 -6.859217802e-01 -8.635612404e-01 3.94 -3.017206289e-01 -6.610966770e-01 -8.383727498e-01 3.96 -2.857418194e-01 -6.368463577e-01 -8.133227710e-01 3.98 -2.702020557e-01 -6.132251198e-01 -7.884124443e-01 4.00 -2.552457851e-01 -5.902892959e-01 -7.636434854e-01 4.02 -2.410176097e-01 -5.680895720e-01 -7.390187585e-01 4.04 -2.276394820e-01 -5.466658967e-01 -7.145418060e-01 4.06 -2.151874956e-01 -5.260423011e-01 -6.902160451e-01 4.08 -2.038312187e-01 -5.062124238e-01 -6.660457995e-01 4.10 -1.936279366e-01 -4.871229469e-01 -6.420358311e-01 4.12 -1.844265417e-01 -4.686838349e-01 -6.181925847e-01 4.14 -1.761475811e-01 -4.507644850e-01 -5.945219882e-01 4.16 -1.686698171e-01 -4.332204098e-01 -5.710317557e-01 4.18 -1.618403483e-01 -4.158018513e-01 -5.477298117e-01 4.20 -1.554810051e-01 -3.984450037e-01 -5.246245564e-01 4.22 -1.493911058e-01 -3.813206029e-01 -5.017283000e-01 4.24 -1.433487150e-01 -3.645765313e-01 -4.790489934e-01 4.26 -1.371157469e-01 -3.483353519e-01 -4.566004451e-01 4.28 -1.304499601e-01 -3.327201660e-01 -4.344007549e-01 4.30 -1.231569822e-01 -3.178998367e-01 -4.124530319e-01 4.32 -1.152989118e-01 -3.034567304e-01 -3.907821713e-01 4.34 -1.070294538e-01 -2.889508337e-01 -3.694234348e-01 4.36 -9.852090796e-02 -2.739203968e-01 -3.480264874e-01 4.38 -8.992861738e-02 -2.581862161e-01 -3.267887277e-01 4.40 -8.138514103e-02 -2.418385686e-01 -3.064334622e-01 4.42 -7.300243573e-02 -2.249914408e-01 -2.875169173e-01 4.44 -6.487414883e-02 -2.078722740e-01 -2.706674469e-01 4.46 -5.707772995e-02 -1.903394140e-01 -2.543928522e-01 4.48 -4.967637491e-02 -1.721890766e-01 -2.368710790e-01 4.50 -4.272080819e-02 -1.533791807e-01 -2.169831126e-01 4.52 -3.625090787e-02 -1.340072344e-01 -1.941878837e-01 4.54 -3.029716422e-02 -1.143075742e-01 -1.686147234e-01 4.56 -2.488195245e-02 -9.504124010e-02 -1.419538918e-01 4.58 -2.002057757e-02 -7.693641524e-02 -1.158359218e-01 4.60 -1.572202387e-02 -6.049561198e-02 -9.146673696e-02 4.62 -1.198930639e-02 -4.603363912e-02 -6.970524641e-02 4.64 -8.819283977e-03 -3.371255122e-02 -5.103169098e-02 4.66 -6.201769091e-03 -2.357243707e-02 -3.563190392e-02 4.68 -4.117779519e-03 -1.555648678e-02 -2.347059031e-02 4.70 -2.536899975e-03 -9.528850136e-03 -1.434914426e-02 4.72 -1.414035055e-03 -5.284825513e-03 -7.945486673e-03 4.74 -6.865046063e-04 -2.555703169e-03 -3.837974655e-03 4.76 -2.734855978e-04 -1.015230175e-03 -1.523554062e-03 4.78 -8.094003180e-05 -2.998504108e-04 -4.498376484e-04 4.80 -1.488240662e-05 -5.504289350e-05 -8.256642238e-05 4.82 -1.189121349e-06 -4.391365884e-06 -6.587061987e-06 4.84 -1.797955898e-08 -6.630081209e-08 -9.945122112e-08 4.86 -2.625655038e-12 -9.666343244e-12 -1.449951487e-11 4.88 -4.256675278e-16 -1.566960683e-15 -2.350441024e-15 4.90 -9.214857635e-31 -3.387936344e-30 -5.081904516e-30 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 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