# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-2 # implementation = 2014--Bonny-G--W-H-He-2--LAMMPS--ipr1 # composition = He3W # 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 1.041412150e+02 nan nan 0.88 9.537841872e+01 nan nan 0.90 8.729721621e+01 nan nan 0.92 7.985364229e+01 nan nan 0.94 7.305960865e+01 nan nan 0.96 6.684760437e+01 nan nan 0.98 6.108972073e+01 8.778700968e+01 9.704177022e+01 1.00 5.574464587e+01 8.120362515e+01 8.951029989e+01 1.02 5.079453076e+01 7.508847083e+01 8.262321380e+01 1.04 4.623952838e+01 6.938035283e+01 7.633660877e+01 1.06 4.205069285e+01 6.402472042e+01 7.055359716e+01 1.08 3.817983796e+01 5.897607996e+01 6.525538463e+01 1.10 3.459168292e+01 5.422439494e+01 6.040144789e+01 1.12 3.125102586e+01 4.975297138e+01 5.589542767e+01 1.14 2.813185767e+01 4.554208165e+01 5.168574824e+01 1.16 2.523203654e+01 4.160570938e+01 4.773697905e+01 1.18 2.257148588e+01 3.792351439e+01 4.401701273e+01 1.20 2.015783873e+01 3.448000257e+01 4.051971468e+01 1.22 1.798300529e+01 3.126761398e+01 3.724040693e+01 1.24 1.602821130e+01 2.828917072e+01 3.415632045e+01 1.26 1.427449161e+01 2.557122951e+01 3.125387564e+01 1.28 1.270208167e+01 2.309606639e+01 2.853002289e+01 1.30 1.129763603e+01 2.084387750e+01 2.598217224e+01 1.32 1.006501608e+01 1.879581560e+01 2.364030812e+01 1.34 8.999352063e+00 1.693022918e+01 2.151927476e+01 1.36 8.064921831e+00 1.522700661e+01 1.956941187e+01 1.38 7.235937502e+00 1.367312542e+01 1.775952056e+01 1.40 6.498039060e+00 1.226229166e+01 1.607757505e+01 1.42 5.838322885e+00 1.098934529e+01 1.451397566e+01 1.44 5.244261930e+00 9.846962572e+00 1.307407085e+01 1.46 4.702139172e+00 8.827189401e+00 1.176187427e+01 1.48 4.199167526e+00 7.920709686e+00 1.057382840e+01 1.50 3.731172789e+00 7.114721691e+00 9.503776052e+00 1.52 3.317964663e+00 6.389770504e+00 8.542509260e+00 1.54 2.975713656e+00 5.733478510e+00 7.680503618e+00 1.56 2.689491148e+00 5.137308204e+00 6.908403210e+00 1.58 2.442259313e+00 4.595865973e+00 6.218741582e+00 1.60 2.229572099e+00 4.118050746e+00 5.603830967e+00 1.62 2.050092093e+00 3.726876944e+00 5.060650962e+00 1.64 1.902536544e+00 3.419258605e+00 4.585389648e+00 1.66 1.781721369e+00 3.164516985e+00 4.172763160e+00 1.68 1.682293224e+00 2.942861338e+00 3.817349808e+00 1.70 1.599328388e+00 2.746325889e+00 3.513293100e+00 1.72 1.527522955e+00 2.568789072e+00 3.254356083e+00 1.74 1.461803038e+00 2.404319634e+00 3.030326493e+00 1.76 1.399054863e+00 2.250409493e+00 2.831953495e+00 1.78 1.337839096e+00 2.107778634e+00 2.653131103e+00 1.80 1.277017080e+00 1.975907276e+00 2.489032931e+00 1.82 1.216358669e+00 1.853979091e+00 2.335931323e+00 1.84 1.156287755e+00 1.740907129e+00 2.195128017e+00 1.86 1.097198030e+00 1.636930960e+00 2.073970586e+00 1.88 1.039479713e+00 1.542947801e+00 1.976942851e+00 1.90 9.835219422e-01 1.459871154e+00 1.895990716e+00 1.92 9.296787976e-01 1.388128615e+00 1.820710798e+00 1.94 8.771211741e-01 1.324834553e+00 1.745792813e+00 1.96 8.251437642e-01 1.266449803e+00 1.669164130e+00 1.98 7.743770840e-01 1.211567754e+00 1.589467692e+00 2.00 7.251575331e-01 1.158893053e+00 1.505371862e+00 2.02 6.775306594e-01 1.107373554e+00 1.416180474e+00 2.04 6.315603058e-01 1.056923809e+00 1.323528064e+00 2.06 5.874069096e-01 1.007596829e+00 1.229423245e+00 2.08 5.453636152e-01 9.592273598e-01 1.135662012e+00 2.10 5.057138144e-01 9.116319344e-01 1.043906380e+00 2.12 4.684966770e-01 8.645756575e-01 9.550664022e-01 2.14 4.334808380e-01 8.177242315e-01 8.697811842e-01 2.16 4.004041891e-01 7.712138228e-01 7.887851623e-01 2.18 3.690029122e-01 7.253871820e-01 7.128384282e-01 2.20 3.390118746e-01 6.807852857e-01 6.426921349e-01 2.22 3.101651091e-01 6.378807225e-01 5.787490478e-01 2.24 2.822568910e-01 5.967115971e-01 5.202226843e-01 2.26 2.553526109e-01 5.571682963e-01 4.663518009e-01 2.28 2.295947560e-01 5.191391287e-01 4.168210505e-01 2.30 2.051284522e-01 4.825107573e-01 3.713378882e-01 2.32 1.821030000e-01 4.471683161e-01 3.296177900e-01 2.34 1.606738647e-01 4.130002515e-01 2.913854176e-01 2.36 1.410008849e-01 3.797628543e-01 2.563671804e-01 2.38 1.231459126e-01 3.469328059e-01 2.240811233e-01 2.40 1.070709838e-01 3.145816528e-01 1.938258001e-01 2.42 9.274977043e-02 2.830009520e-01 1.649030741e-01 2.44 8.003048080e-02 2.524819023e-01 1.366308905e-01 2.46 6.863769606e-02 2.233142269e-01 1.083866890e-01 2.48 5.854613158e-02 1.957861598e-01 8.011638804e-02 2.50 4.983192387e-02 1.701844221e-01 5.215133061e-02 2.52 4.272752332e-02 1.467941978e-01 2.487737570e-02 2.54 3.705301989e-02 1.258990772e-01 -1.276434759e-03 2.56 3.324897926e-02 1.077808316e-01 -2.590955931e-02 2.58 3.269039004e-02 9.261487731e-02 -4.886826945e-02 2.60 2.829020817e-02 8.028465300e-02 -7.012395772e-02 2.62 2.785686167e-02 7.062251540e-02 -8.964931550e-02 2.64 3.373347543e-02 6.346091716e-02 -1.074173657e-01 2.66 4.563543049e-02 5.863084340e-02 -1.234014589e-01 2.68 6.180480986e-02 5.596792561e-02 -1.375750468e-01 2.70 7.621668538e-02 5.525970463e-02 -1.499043480e-01 2.72 8.585321576e-02 5.645564917e-02 -1.604842497e-01 2.74 9.037794954e-02 5.877787600e-02 -1.699903489e-01 2.76 9.049900185e-02 6.437311758e-02 -1.787886874e-01 2.78 8.729277276e-02 6.842921967e-02 -1.868311746e-01 2.80 8.174848642e-02 7.136031374e-02 -1.940523794e-01 2.82 7.474212974e-02 8.080061034e-02 -2.003872543e-01 2.84 6.708906378e-02 9.657783898e-02 -2.057710936e-01 2.86 5.930119332e-02 1.170538524e-01 -2.101396978e-01 2.88 5.155742833e-02 1.355402486e-01 -2.134291876e-01 2.90 4.402189113e-02 1.475425886e-01 -2.155761757e-01 2.92 3.685870403e-02 1.528046696e-01 -2.165177655e-01 2.94 3.023197879e-02 1.524842575e-01 -2.161917565e-01 2.96 2.427026204e-02 1.479464400e-01 -2.145363914e-01 2.98 1.898715473e-02 1.404128576e-01 -2.115491177e-01 3.00 1.437307882e-02 1.309703235e-01 -2.072916205e-01 3.02 1.041864847e-02 1.205797172e-01 -2.018987400e-01 3.04 7.115246647e-03 1.096522066e-01 -1.953400473e-01 3.06 4.454448496e-03 9.842569325e-02 -1.877747991e-01 3.08 2.427829179e-03 8.715570729e-02 -1.796086015e-01 3.10 1.027524529e-03 7.609875649e-02 -1.703021080e-01 3.12 2.503360233e-04 6.551120313e-02 -1.586002474e-01 3.14 1.433556952e-05 5.559337494e-02 -1.489725150e-01 3.16 0.000000000e+00 4.640509369e-02 -1.408591498e-01 3.18 0.000000000e+00 3.798451217e-02 -1.299561892e-01 3.20 0.000000000e+00 3.036978316e-02 -1.159801502e-01 3.22 0.000000000e+00 2.359905942e-02 -9.887188440e-02 3.24 0.000000000e+00 1.771049375e-02 -7.913813792e-02 3.26 0.000000000e+00 1.274223892e-02 -5.757313436e-02 3.28 0.000000000e+00 8.732554340e-03 -3.716419155e-02 3.30 0.000000000e+00 5.723697676e-03 -1.964045765e-02 3.32 0.000000000e+00 3.743920730e-03 -5.466976971e-03 3.34 0.000000000e+00 2.544146294e-03 5.521627216e-03 3.36 0.000000000e+00 1.704041263e-03 1.370652107e-02 3.38 0.000000000e+00 1.073098871e-03 1.951768184e-02 3.40 0.000000000e+00 6.210062912e-04 2.337022690e-02 3.42 0.000000000e+00 3.179552211e-04 2.563946291e-02 3.44 0.000000000e+00 1.341373589e-04 2.666575641e-02 3.46 0.000000000e+00 3.974440264e-05 2.676900364e-02 3.48 0.000000000e+00 4.968050345e-06 2.625419914e-02 3.50 0.000000000e+00 -1.193347918e-11 2.527262445e-02 3.52 0.000000000e+00 0.000000000e+00 2.388107409e-02 3.54 0.000000000e+00 0.000000000e+00 2.216507980e-02 3.56 0.000000000e+00 0.000000000e+00 2.021762549e-02 3.58 0.000000000e+00 0.000000000e+00 1.813169503e-02 3.60 0.000000000e+00 0.000000000e+00 1.600027083e-02 3.62 0.000000000e+00 0.000000000e+00 1.390265999e-02 3.64 0.000000000e+00 0.000000000e+00 1.187106710e-02 3.66 0.000000000e+00 0.000000000e+00 9.927563180e-03 3.68 0.000000000e+00 0.000000000e+00 8.094219233e-03 3.70 0.000000000e+00 0.000000000e+00 6.393106268e-03 3.72 0.000000000e+00 0.000000000e+00 4.846295294e-03 3.74 0.000000000e+00 0.000000000e+00 3.475857320e-03 3.76 0.000000000e+00 0.000000000e+00 2.303863355e-03 3.78 0.000000000e+00 0.000000000e+00 1.352384895e-03 3.80 0.000000000e+00 0.000000000e+00 6.441758375e-04 3.82 0.000000000e+00 0.000000000e+00 2.040288129e-04 3.84 0.000000000e+00 0.000000000e+00 2.763027840e-05 3.86 0.000000000e+00 0.000000000e+00 4.640460818e-09 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 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