# 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 = H3He # 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 3.341037990e+01 nan nan 0.88 3.055559521e+01 nan nan 0.90 2.793872425e+01 nan nan 0.92 2.553955569e+01 nan nan 0.94 2.333757300e+01 nan nan 0.96 2.131191588e+01 nan nan 0.98 1.944172970e+01 2.848578438e+01 3.083272146e+01 1.00 1.770662878e+01 2.623792090e+01 2.855784001e+01 1.02 1.608974612e+01 2.412948673e+01 2.644900986e+01 1.04 1.458359211e+01 2.215336071e+01 2.447852021e+01 1.06 1.318258848e+01 2.030273250e+01 2.262330238e+01 1.08 1.188120267e+01 1.857176755e+01 2.087523031e+01 1.10 1.067446045e+01 1.695526026e+01 1.922954921e+01 1.12 9.558009219e+00 1.544805801e+01 1.768151682e+01 1.14 8.527862568e+00 1.404500816e+01 1.622639380e+01 1.16 7.579956584e+00 1.274095811e+01 1.485965803e+01 1.18 6.710379382e+00 1.153079015e+01 1.357750580e+01 1.20 5.915537360e+00 1.040957522e+01 1.237684057e+01 1.22 5.191871688e+00 9.372553641e+00 1.125463935e+01 1.24 4.535823538e+00 8.415189946e+00 1.020788355e+01 1.26 3.943834080e+00 7.533648075e+00 9.233591074e+00 1.28 3.412344487e+00 6.724434883e+00 8.328797972e+00 1.30 2.937831379e+00 5.984059717e+00 7.490540439e+00 1.32 2.516893276e+00 5.309039057e+00 6.715854663e+00 1.34 2.146078775e+00 4.695914093e+00 6.001776835e+00 1.36 1.821886501e+00 4.141231360e+00 5.345366799e+00 1.38 1.540920757e+00 3.641537394e+00 4.743805540e+00 1.40 1.299820420e+00 3.193378732e+00 4.194312718e+00 1.42 1.095224380e+00 2.793301909e+00 3.694109475e+00 1.44 9.237715260e-01 2.437853462e+00 3.240540778e+00 1.46 7.821007498e-01 2.123579927e+00 2.831167631e+00 1.48 6.668509416e-01 1.847027839e+00 2.463572758e+00 1.50 5.746609917e-01 1.604743735e+00 2.135338881e+00 1.52 5.021738166e-01 1.393281445e+00 1.844056775e+00 1.54 4.460484370e-01 1.209223976e+00 1.587349424e+00 1.56 4.029478993e-01 1.049161680e+00 1.362847863e+00 1.58 3.695352503e-01 9.100182797e-01 1.168183127e+00 1.60 3.424735364e-01 7.898866887e-01 1.000986251e+00 1.62 3.185070419e-01 6.871344818e-01 8.588882707e-01 1.64 2.959528728e-01 6.001299561e-01 7.395202208e-01 1.66 2.746724304e-01 5.272414086e-01 6.405131368e-01 1.68 2.546591697e-01 4.668371363e-01 5.594980539e-01 1.70 2.358886013e-01 4.172854361e-01 4.941060072e-01 1.72 2.183254070e-01 3.769546051e-01 4.419680321e-01 1.74 2.019336353e-01 3.442138017e-01 4.007160560e-01 1.76 1.866544917e-01 3.174661833e-01 3.680172252e-01 1.78 1.723993088e-01 2.951593688e-01 3.415847429e-01 1.80 1.590788910e-01 2.757439774e-01 3.191349193e-01 1.82 1.466305641e-01 2.579106338e-01 2.987440730e-01 1.84 1.350144915e-01 2.413099675e-01 2.799285100e-01 1.86 1.241915828e-01 2.258391255e-01 2.625645448e-01 1.88 1.141227473e-01 2.114122783e-01 2.465284898e-01 1.90 1.047688947e-01 1.979463445e-01 2.316966571e-01 1.92 9.609093432e-02 1.853582423e-01 2.179453592e-01 1.94 8.804977570e-02 1.735648901e-01 2.051509084e-01 1.96 8.060632833e-02 1.624832064e-01 1.931896170e-01 1.98 7.372150170e-02 1.520301094e-01 1.819377974e-01 2.00 6.735620525e-02 1.421225175e-01 1.712717616e-01 2.02 6.147426625e-02 1.326892317e-01 1.610856462e-01 2.04 5.605118244e-02 1.237065821e-01 1.513448807e-01 2.06 5.106536937e-02 1.151627813e-01 1.420327190e-01 2.08 4.649524255e-02 1.070460419e-01 1.331324150e-01 2.10 4.231921751e-02 9.934457678e-02 1.246272222e-01 2.12 3.851570976e-02 9.204659840e-02 1.165003945e-01 2.14 3.506313481e-02 8.514031947e-02 1.087363452e-01 2.16 3.193990818e-02 7.861395262e-02 1.013251455e-01 2.18 2.912444539e-02 7.245571051e-02 9.425858918e-02 2.20 2.659516196e-02 6.665380578e-02 8.752847039e-02 2.22 2.433047339e-02 6.119645107e-02 8.112658336e-02 2.24 2.230879521e-02 5.607185905e-02 7.504472230e-02 2.26 2.050854292e-02 5.126824235e-02 6.927468142e-02 2.28 1.890813206e-02 4.677381362e-02 6.380825491e-02 2.30 1.748597813e-02 4.257678550e-02 5.863723700e-02 2.32 1.622049665e-02 3.866537066e-02 5.375342188e-02 2.34 1.509010314e-02 3.502778173e-02 4.914860376e-02 2.36 1.407321310e-02 3.165223135e-02 4.481457684e-02 2.38 1.314824207e-02 2.852693219e-02 4.074313533e-02 2.40 1.229360555e-02 2.564009688e-02 3.692607345e-02 2.42 1.148771906e-02 2.297993808e-02 3.335518538e-02 2.44 1.070899812e-02 2.053466842e-02 3.002226534e-02 2.46 9.936510149e-03 1.829250056e-02 2.691910754e-02 2.48 9.162662116e-03 1.624164715e-02 2.403750618e-02 2.50 8.392341462e-03 1.437032083e-02 2.136925547e-02 2.52 7.630915478e-03 1.266673425e-02 1.890614960e-02 2.54 6.883751460e-03 1.111910005e-02 1.663998280e-02 2.56 6.156216700e-03 9.715630891e-03 1.456254926e-02 2.58 5.453678492e-03 8.444539412e-03 1.266564319e-02 2.60 4.781504129e-03 7.294039199e-03 1.094105880e-02 2.62 4.145060905e-03 6.253726858e-03 9.380590288e-03 2.64 3.549716112e-03 5.317354576e-03 7.976031864e-03 2.66 3.000837046e-03 4.479451823e-03 6.719177735e-03 2.68 2.503790998e-03 3.734548070e-03 5.601822105e-03 2.70 2.063065690e-03 3.077172787e-03 4.615759181e-03 2.72 1.677348816e-03 2.501855445e-03 3.752783168e-03 2.74 1.342979354e-03 2.003125515e-03 3.004688273e-03 2.76 1.056289633e-03 1.575512467e-03 2.363268701e-03 2.78 8.136119803e-04 1.213545772e-03 1.820318658e-03 2.80 6.112787230e-04 9.117548999e-04 1.367632350e-03 2.82 4.456221891e-04 6.646693220e-04 9.970039830e-04 2.84 3.129747062e-04 4.668185087e-04 7.002277631e-04 2.86 2.096686020e-04 3.127319307e-04 4.690978960e-04 2.88 1.320362042e-04 1.969390584e-04 2.954085876e-04 2.90 7.640984038e-05 1.139693625e-04 1.709540437e-04 2.92 3.912183827e-05 5.835231360e-05 8.752847039e-05 2.94 1.650452552e-05 2.461738230e-05 3.692607345e-05 2.96 4.890229786e-06 7.294039202e-06 1.094105880e-05 2.98 6.112787245e-07 9.117549021e-07 1.367632353e-06 3.00 -1.107806540e-13 -1.652352688e-13 -2.478529032e-13 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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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 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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