# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM1_WHHe__MO_292520929154_000 # composition = HW3 # 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 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 5.981204140e+01 nan nan 1.32 5.533469621e+01 nan nan 1.34 5.113962300e+01 nan nan 1.36 4.712378555e+01 nan nan 1.38 4.327361145e+01 nan nan 1.40 3.967150775e+01 nan nan 1.42 3.645113696e+01 5.861137842e+01 nan 1.44 3.355465478e+01 5.468227813e+01 nan 1.46 3.084169523e+01 5.095108027e+01 5.920845966e+01 1.48 2.829805663e+01 4.742308615e+01 5.501304774e+01 1.50 2.592352657e+01 4.409558685e+01 5.105602209e+01 1.52 2.371343643e+01 4.093752870e+01 4.743987280e+01 1.54 2.166871796e+01 3.792768872e+01 4.421393003e+01 1.56 1.977607911e+01 3.505875078e+01 4.127006700e+01 1.58 1.800545541e+01 3.233505564e+01 3.851045467e+01 1.60 1.632069742e+01 2.978793594e+01 3.591548480e+01 1.62 1.470220544e+01 2.747935734e+01 3.347887545e+01 1.64 1.314605321e+01 2.540459298e+01 3.119029252e+01 1.66 1.169198499e+01 2.347987958e+01 2.903652476e+01 1.68 1.035870996e+01 2.166220760e+01 2.701284771e+01 1.70 9.139913867e+00 1.994085170e+01 2.511188241e+01 1.72 8.026884612e+00 1.830810595e+01 2.332233706e+01 1.74 7.008025325e+00 1.675329666e+01 2.161917092e+01 1.76 6.074197932e+00 1.528863819e+01 1.999002158e+01 1.78 5.213195388e+00 1.392367179e+01 1.843421477e+01 1.80 4.409917140e+00 1.265834107e+01 1.695238226e+01 1.82 3.661816533e+00 1.148852937e+01 1.553609703e+01 1.84 2.965550063e+00 1.039620099e+01 1.417408057e+01 1.86 2.320417314e+00 9.370427817e+00 1.287959749e+01 1.88 1.725912003e+00 8.404592927e+00 1.166947538e+01 1.90 1.177797429e+00 7.490233568e+00 1.053015121e+01 1.92 6.716379529e-01 6.618585811e+00 9.439693248e+00 1.94 1.997849262e-01 5.777736231e+00 8.390827855e+00 1.96 -2.451461816e-01 4.956410227e+00 7.381344758e+00 1.98 -6.669812820e-01 4.155220804e+00 6.409187437e+00 2.00 -1.073114485e+00 3.376303276e+00 5.472395136e+00 2.02 -1.470372629e+00 2.628579020e+00 4.582498544e+00 2.04 -1.860109137e+00 1.928400264e+00 3.762836432e+00 2.06 -2.248577640e+00 1.276891335e+00 3.013179223e+00 2.08 -2.638595059e+00 6.735356687e-01 2.322712819e+00 2.10 -3.030022009e+00 1.176794281e-01 1.685908904e+00 2.12 -3.412670800e+00 -3.951627819e-01 1.099025551e+00 2.14 -3.761252915e+00 -8.716548193e-01 5.568949617e-01 2.16 -4.051362656e+00 -1.313264356e+00 5.424230940e-02 2.18 -4.285931072e+00 -1.724349702e+00 -4.142073076e-01 2.20 -4.487354866e+00 -2.107639644e+00 -8.536749189e-01 2.22 -4.673321428e+00 -2.464299480e+00 -1.267084800e+00 2.24 -4.843653562e+00 -2.795050214e+00 -1.656675003e+00 2.26 -4.994991239e+00 -3.093811827e+00 -2.022630875e+00 2.28 -5.125487208e+00 -3.352378541e+00 -2.363368716e+00 2.30 -5.233736020e+00 -3.567385981e+00 -2.677878242e+00 2.32 -5.319335531e+00 -3.748789568e+00 -2.966572813e+00 2.34 -5.383867483e+00 -3.908744234e+00 -3.230065838e+00 2.36 -5.428717895e+00 -4.056081892e+00 -3.468997292e+00 2.38 -5.455943093e+00 -4.194718970e+00 -3.684667343e+00 2.40 -5.468308142e+00 -4.326476010e+00 -3.879070871e+00 2.42 -5.468593720e+00 -4.452372842e+00 -4.054224925e+00 2.44 -5.460259642e+00 -4.573428029e+00 -4.214565671e+00 2.46 -5.446991705e+00 -4.690628257e+00 -4.368237453e+00 2.48 -5.429565781e+00 -4.804660116e+00 -4.519167464e+00 2.50 -5.407625829e+00 -4.916771918e+00 -4.668926371e+00 2.52 -5.380723040e+00 -5.028703819e+00 -4.818286100e+00 2.54 -5.348741602e+00 -5.141463975e+00 -4.966439068e+00 2.56 -5.312842057e+00 -5.255882574e+00 -5.112350379e+00 2.58 -5.274677386e+00 -5.371773364e+00 -5.254780101e+00 2.60 -5.233974012e+00 -5.481691911e+00 -5.384410594e+00 2.62 -5.189370311e+00 -5.574647066e+00 -5.487653352e+00 2.64 -5.138707429e+00 -5.639969002e+00 -5.551509213e+00 2.66 -5.080839853e+00 -5.675594590e+00 -5.575903741e+00 2.68 -5.017444399e+00 -5.688155161e+00 -5.573342109e+00 2.70 -4.950305204e+00 -5.685633395e+00 -5.556807288e+00 2.72 -4.880287517e+00 -5.673646076e+00 -5.535308782e+00 2.74 -4.807322985e+00 -5.653260430e+00 -5.511877110e+00 2.76 -4.731695564e+00 -5.624691388e+00 -5.488458500e+00 2.78 -4.653345305e+00 -5.587641456e+00 -5.465833393e+00 2.80 -4.572183266e+00 -5.541790210e+00 -5.444732406e+00 2.82 -4.488117177e+00 -5.486787918e+00 -5.425886004e+00 2.84 -4.401050494e+00 -5.422727964e+00 -5.409868358e+00 2.86 -4.310881344e+00 -5.351855411e+00 -5.395629244e+00 2.88 -4.217514343e+00 -5.275885228e+00 -5.381211990e+00 2.90 -4.121017866e+00 -5.195648789e+00 -5.365316384e+00 2.92 -4.023108651e+00 -5.112661305e+00 -5.347051519e+00 2.94 -3.926176938e+00 -5.028534228e+00 -5.325527544e+00 2.96 -3.830905355e+00 -4.944864886e+00 -5.300063958e+00 2.98 -3.737613899e+00 -4.863229677e+00 -5.270816474e+00 3.00 -3.646516041e+00 -4.784914346e+00 -5.237907659e+00 3.02 -3.557667749e+00 -4.710375186e+00 -5.200855747e+00 3.04 -3.471106678e+00 -4.638897297e+00 -5.159102936e+00 3.06 -3.386863756e+00 -4.569568080e+00 -5.112072825e+00 3.08 -3.304962262e+00 -4.501394995e+00 -5.059171865e+00 3.10 -3.225426300e+00 -4.433353009e+00 -4.999822216e+00 3.12 -3.148328825e+00 -4.364544209e+00 -4.933606392e+00 3.14 -3.073832737e+00 -4.294428419e+00 -4.860856093e+00 3.16 -3.002057384e+00 -4.222930191e+00 -4.783562218e+00 3.18 -2.932835864e+00 -4.150039514e+00 -4.703226879e+00 3.20 -2.865923501e+00 -4.075746697e+00 -4.620201913e+00 3.22 -2.801076434e+00 -4.000042262e+00 -4.534751477e+00 3.24 -2.738051528e+00 -3.922916820e+00 -4.447137706e+00 3.26 -2.676606276e+00 -3.844360950e+00 -4.357620366e+00 3.28 -2.616498688e+00 -3.764364744e+00 -4.266456474e+00 3.30 -2.557487168e+00 -3.682905992e+00 -4.173899916e+00 3.32 -2.499330378e+00 -3.600004042e+00 -4.080201036e+00 3.34 -2.441787079e+00 -3.516506973e+00 -3.985627590e+00 3.36 -2.384615952e+00 -3.433695662e+00 -3.890600878e+00 3.38 -2.327575409e+00 -3.351947741e+00 -3.795608100e+00 3.40 -2.270423368e+00 -3.271273903e+00 -3.701131381e+00 3.42 -2.212924732e+00 -3.191681925e+00 -3.607646889e+00 3.44 -2.155022853e+00 -3.113177951e+00 -3.515624234e+00 3.46 -2.096839869e+00 -3.035766227e+00 -3.425525815e+00 3.48 -2.038504138e+00 -2.959448819e+00 -3.337731551e+00 3.50 -1.980141845e+00 -2.884225303e+00 -3.252258301e+00 3.52 -1.921880759e+00 -2.810099412e+00 -3.169025034e+00 3.54 -1.863851042e+00 -2.737069281e+00 -3.087938584e+00 3.56 -1.806157632e+00 -2.665063710e+00 -3.008800357e+00 3.58 -1.748900593e+00 -2.594000893e+00 -2.931395370e+00 3.60 -1.692178870e+00 -2.523799586e+00 -2.855509036e+00 3.62 -1.636090048e+00 -2.454379200e+00 -2.780968182e+00 3.64 -1.580729806e+00 -2.385699741e+00 -2.707741325e+00 3.66 -1.526191176e+00 -2.317823033e+00 -2.635827762e+00 3.68 -1.472564346e+00 -2.250827148e+00 -2.565227164e+00 3.70 -1.419935680e+00 -2.184790600e+00 -2.495939579e+00 3.72 -1.368386868e+00 -2.119792327e+00 -2.427965418e+00 3.74 -1.317994215e+00 -2.055911617e+00 -2.361305463e+00 3.76 -1.268827769e+00 -1.993228098e+00 -2.295960862e+00 3.78 -1.220950355e+00 -1.931821638e+00 -2.231933120e+00 3.80 -1.174415882e+00 -1.871772302e+00 -2.169222062e+00 3.82 -1.129269243e+00 -1.813160289e+00 -2.107821759e+00 3.84 -1.085542986e+00 -1.756065748e+00 -2.047813955e+00 3.86 -1.043301120e+00 -1.700560673e+00 -1.989600570e+00 3.88 -1.002704857e+00 -1.646626090e+00 -1.933466304e+00 3.90 -9.639089391e-01 -1.594185692e+00 -1.879330386e+00 3.92 -9.270398407e-01 -1.543161889e+00 -1.827028255e+00 3.94 -8.921922081e-01 -1.493476227e+00 -1.776395722e+00 3.96 -8.594988780e-01 -1.445049194e+00 -1.727268981e+00 3.98 -8.290739871e-01 -1.397799922e+00 -1.679484567e+00 4.00 -8.008732927e-01 -1.351646000e+00 -1.632879482e+00 4.02 -7.747586835e-01 -1.306502881e+00 -1.587291035e+00 4.04 -7.505328124e-01 -1.262283672e+00 -1.542557002e+00 4.06 -7.279564780e-01 -1.218897849e+00 -1.498515589e+00 4.08 -7.067858274e-01 -1.176252518e+00 -1.455005311e+00 4.10 -6.869768714e-01 -1.134293177e+00 -1.411865273e+00 4.12 -6.684375240e-01 -1.093007510e+00 -1.368935007e+00 4.14 -6.500207915e-01 -1.052354343e+00 -1.326054441e+00 4.16 -6.305195163e-01 -1.012350259e+00 -1.283063932e+00 4.18 -6.093266591e-01 -9.729732920e-01 -1.239804790e+00 4.20 -5.885767864e-01 -9.340972755e-01 -1.196173663e+00 4.22 -5.702404849e-01 -8.958418046e-01 -1.152198699e+00 4.24 -5.550154379e-01 -8.583206738e-01 -1.107924703e+00 4.26 -5.408713081e-01 -8.216972398e-01 -1.063401666e+00 4.28 -5.258041883e-01 -7.862219141e-01 -1.018683544e+00 4.30 -5.084790703e-01 -7.510124177e-01 -9.737778378e-01 4.32 -4.884454284e-01 -7.147866625e-01 -9.288550369e-01 4.34 -4.663732832e-01 -6.782164142e-01 -8.838190022e-01 4.36 -4.419079389e-01 -6.441577525e-01 -8.386498394e-01 4.38 -4.148851759e-01 -6.137677861e-01 -7.935815571e-01 4.40 -3.853689335e-01 -5.847034260e-01 -7.492151703e-01 4.42 -3.535932211e-01 -5.545661764e-01 -7.054166107e-01 4.44 -3.198895801e-01 -5.211565895e-01 -6.587476621e-01 4.46 -2.844942098e-01 -4.856357996e-01 -6.108728379e-01 4.48 -2.491114086e-01 -4.503416456e-01 -5.696781965e-01 4.50 -2.149410330e-01 -4.148226935e-01 -5.339067642e-01 4.52 -1.827435728e-01 -3.769061746e-01 -4.961519474e-01 4.54 -1.529820320e-01 -3.357498386e-01 -4.533744332e-01 4.56 -1.258980892e-01 -2.920762830e-01 -4.065925691e-01 4.58 -1.015728911e-01 -2.474574179e-01 -3.552625941e-01 4.60 -7.997482398e-02 -2.032594764e-01 -3.000739352e-01 4.62 -6.099636521e-02 -1.602791326e-01 -2.415845607e-01 4.64 -4.448188450e-02 -1.196218179e-01 -1.823677042e-01 4.66 -3.024804235e-02 -8.278863295e-02 -1.269104361e-01 4.68 -1.809823068e-02 -5.039447974e-02 -7.749693138e-02 4.70 -7.832307511e-03 -2.252346377e-02 -3.495990754e-02 4.72 7.429785404e-04 9.420088355e-04 7.162678788e-04 4.74 7.795302963e-03 2.022220188e-02 2.993974387e-02 4.76 1.347940693e-02 3.567338251e-02 5.331543546e-02 4.78 1.794258950e-02 4.773378887e-02 7.151812821e-02 4.80 2.132547467e-02 5.682876197e-02 8.521420741e-02 4.82 2.376323130e-02 6.335812215e-02 9.502937160e-02 4.84 2.538695286e-02 6.769664870e-02 1.015435583e-01 4.86 2.632498605e-02 7.019979558e-02 1.052995681e-01 4.88 2.670406541e-02 7.121083847e-02 1.068162557e-01 4.90 2.665032029e-02 7.106752077e-02 1.066012812e-01 4.92 2.628405452e-02 7.009081205e-02 1.051362181e-01 4.94 2.566017780e-02 6.842714081e-02 1.026407112e-01 4.96 2.481156491e-02 6.616417309e-02 9.924625963e-02 4.98 2.377109060e-02 6.338957493e-02 9.508436239e-02 5.00 2.257162964e-02 6.019101237e-02 9.028651855e-02 5.02 2.124605680e-02 5.665615146e-02 8.498422718e-02 5.04 1.982724684e-02 5.287265824e-02 7.930898735e-02 5.06 1.834807453e-02 4.892819875e-02 7.339229813e-02 5.08 1.684141464e-02 4.491043905e-02 6.736565857e-02 5.10 1.533958027e-02 4.090554740e-02 6.135832110e-02 5.12 1.386268012e-02 3.696714699e-02 5.545072049e-02 5.14 1.241900233e-02 3.311733955e-02 4.967600932e-02 5.16 1.101635018e-02 2.937693381e-02 4.406540072e-02 5.18 9.662526950e-03 2.576673853e-02 3.865010780e-02 5.20 8.365335922e-03 2.230756246e-02 3.346134369e-02 5.22 7.132580373e-03 1.902021433e-02 2.853032149e-02 5.24 5.972063585e-03 1.592550289e-02 2.388825434e-02 5.26 4.891588837e-03 1.304423690e-02 1.956635535e-02 5.28 3.898959409e-03 1.039722509e-02 1.559583764e-02 5.30 3.001978582e-03 8.005276218e-03 1.200791433e-02 5.32 2.208449635e-03 5.889199027e-03 8.833798540e-03 5.34 1.526175848e-03 4.069802261e-03 6.104703391e-03 5.36 9.630736619e-04 2.568196432e-03 3.852294648e-03 5.38 5.277683012e-04 1.407382137e-03 2.111073205e-03 5.40 2.291588164e-04 6.110901770e-04 9.166352655e-04 5.42 6.864063640e-05 1.830416971e-04 2.745625456e-04 5.44 8.861591333e-06 2.363091022e-05 3.544636533e-05 5.46 -4.319061359e-09 -1.151749696e-08 -1.727624544e-08 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 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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