# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Nouranian-S-Tschopp-M-A-Gwaltney-S-R-et-al--CH # implementation = 2014--Nouranian-S--CH--ipr1 # composition = H # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan 5.844444376e+01 nan nan nan nan 0.58 nan nan nan nan nan 5.321357403e+01 nan nan 8.051168803e+01 nan 0.60 nan nan nan nan nan 4.840641867e+01 nan nan 7.278471363e+01 nan 0.62 nan nan nan nan nan 4.398908826e+01 nan nan 6.573481782e+01 nan 0.64 nan 1.814552395e+02 nan nan nan 3.993059973e+01 nan nan 5.930456323e+01 nan 0.66 nan 1.640811267e+02 nan nan nan 3.620258069e+01 1.079004518e+02 nan 5.344153957e+01 7.645973666e+01 0.68 nan 1.482477872e+02 nan nan nan 3.277901275e+01 9.785257725e+01 nan 4.809777244e+01 6.964970579e+01 0.70 nan 1.338242067e+02 1.698673874e+02 nan nan 2.963600696e+01 8.866280283e+01 nan 4.322933077e+01 6.338844131e+01 0.72 1.640683146e+02 1.206904641e+02 1.548233801e+02 1.640683148e+02 1.640683150e+02 2.675160635e+01 8.026042832e+01 1.538458437e+02 3.879597302e+01 5.763315663e+01 0.74 1.501921004e+02 1.087365971e+02 1.410112908e+02 1.501921006e+02 1.501921007e+02 2.410561104e+01 7.258072268e+01 1.405117593e+02 3.476082758e+01 5.234446397e+01 0.76 1.373960706e+02 9.786180855e+01 1.283339983e+02 1.373960707e+02 1.373960708e+02 2.167949587e+01 6.556432251e+01 1.282390135e+02 3.109015800e+01 4.748619131e+01 0.78 1.256000152e+02 8.797377921e+01 1.167025007e+02 1.256000153e+02 1.256000154e+02 1.945644457e+01 5.915693424e+01 1.169472560e+02 2.775323015e+01 4.302537902e+01 0.80 1.147297271e+02 7.898787058e+01 1.060347325e+02 1.147297272e+02 1.147297273e+02 1.742094047e+01 5.330865189e+01 1.065621110e+02 2.472185982e+01 3.893161537e+01 0.82 1.047163380e+02 7.082646966e+01 9.625488540e+01 1.047163381e+02 1.047163382e+02 1.555859477e+01 4.797353457e+01 9.701466602e+01 2.197015069e+01 3.517673250e+01 0.84 9.549594090e+01 6.341841608e+01 8.729293821e+01 9.549594098e+01 9.549594106e+01 1.385606678e+01 4.310929604e+01 8.824107816e+01 1.947431229e+01 3.173464379e+01 0.86 8.700923969e+01 5.669847557e+01 7.908422206e+01 8.700923976e+01 8.700923983e+01 1.230098969e+01 3.867701851e+01 8.018220789e+01 1.721249236e+01 2.858119300e+01 0.88 7.920122235e+01 5.060685598e+01 7.156901816e+01 7.920122242e+01 7.920122248e+01 1.088190153e+01 3.464088867e+01 7.278327925e+01 1.516462236e+01 2.569401422e+01 0.90 7.202085764e+01 4.508876248e+01 6.469218533e+01 7.202085770e+01 7.202085775e+01 9.588180950e+00 3.096795434e+01 6.599356427e+01 1.331227524e+01 2.305240194e+01 0.92 6.542081275e+01 4.009398871e+01 5.840281546e+01 6.542081280e+01 6.542081285e+01 8.409987474e+00 2.762790001e+01 5.976608996e+01 1.163853440e+01 2.063719039e+01 0.94 5.935719093e+01 3.557654104e+01 5.265391468e+01 5.935719098e+01 5.935719102e+01 7.338205957e+00 2.459283987e+01 5.405736631e+01 1.012787299e+01 1.843064165e+01 0.96 5.378928741e+01 3.149429324e+01 4.740210820e+01 5.378928745e+01 5.378928750e+01 6.364394905e+00 2.183712702e+01 4.882713375e+01 8.766042744e+00 1.641634178e+01 0.98 4.867936250e+01 2.780866918e+01 4.260736738e+01 4.867936254e+01 4.867936257e+01 5.480738420e+00 1.933717747e+01 4.403812865e+01 7.539971642e+00 1.457910439e+01 1.00 4.399243058e+01 2.448435115e+01 3.823275701e+01 4.399243062e+01 4.399243065e+01 4.680001507e+00 1.707130788e+01 3.965586573e+01 6.437669577e+00 1.290488123e+01 1.02 3.969606399e+01 2.148901195e+01 3.424420158e+01 3.969606401e+01 3.969606404e+01 3.955488519e+00 1.501958600e+01 3.564843592e+01 5.448141552e+00 1.138067916e+01 1.04 3.576021057e+01 1.879306859e+01 3.061026896e+01 3.576021060e+01 3.576021062e+01 3.301004506e+00 1.316369264e+01 3.198631888e+01 4.561307709e+00 9.994483102e+00 1.06 3.215702420e+01 1.636945611e+01 2.730197031e+01 3.215702423e+01 3.215702425e+01 2.710819285e+00 1.148679453e+01 2.864220888e+01 3.767929700e+00 8.735184613e+00 1.08 2.886070712e+01 1.419341968e+01 2.429257489e+01 2.886070714e+01 2.886070716e+01 2.179634026e+00 9.973427031e+00 2.559085321e+01 3.059542881e+00 7.592515519e+00 1.10 2.584736341e+01 1.224232363e+01 2.155743879e+01 2.584736343e+01 2.584736344e+01 1.702550197e+00 8.609385994e+00 2.280890220e+01 2.428393888e+00 6.556986395e+00 1.12 2.309486279e+01 1.049547606e+01 1.907384644e+01 2.309486281e+01 2.309486282e+01 1.275040681e+00 7.381628079e+00 2.027477002e+01 1.867383151e+00 5.619829457e+00 1.14 2.058271404e+01 8.933967633e+00 1.682086401e+01 2.058271405e+01 2.058271406e+01 8.929229351e-01 6.278178841e+00 1.796850554e+01 1.370011979e+00 4.772945588e+00 1.16 1.829194727e+01 7.540523589e+00 1.477920381e+01 1.829194729e+01 1.829194730e+01 5.523340405e-01 5.288047996e+00 1.587167243e+01 9.303338411e-01 4.008855183e+00 1.18 1.620500463e+01 6.299367762e+00 1.293109881e+01 1.620500464e+01 1.620500465e+01 2.497075092e-01 4.401151307e+00 1.396723790e+01 5.429095170e-01 3.320652545e+00 1.20 1.430563859e+01 5.196097725e+00 1.126018664e+01 1.430563860e+01 1.430563861e+01 -1.824826825e-02 3.608238573e+00 1.223946955e+01 2.027658178e-01 2.701963584e+00 1.22 1.257881753e+01 4.217570116e+00 9.751402254e+00 1.257881754e+01 1.257881755e+01 -2.545700515e-01 2.900827249e+00 1.067383956e+01 -9.464241271e-02 2.146906565e+00 1.24 1.101063796e+01 3.351795339e+00 8.390878665e+00 1.101063797e+01 1.101063797e+01 -4.620583624e-01 2.271141257e+00 9.256935855e+00 -3.534672683e-01 1.650055707e+00 1.26 9.588242927e+00 2.587840877e+00 7.165855145e+00 9.588242933e+00 9.588242940e+00 -6.432947773e-01 1.712054585e+00 7.976379669e+00 -5.774999648e-01 1.206407410e+00 1.28 8.299746280e+00 1.915742524e+00 6.064592337e+00 8.299746285e+00 8.299746291e+00 -8.006579925e-01 1.217039306e+00 6.820749115e+00 -7.702004563e-01 8.113489354e-01 1.30 7.134162230e+00 1.326422884e+00 5.076293750e+00 7.134162235e+00 7.134162240e+00 -9.363387482e-01 7.801176636e-01 5.779508238e+00 -9.347246867e-01 4.606293486e-01 1.32 6.081339953e+00 8.116165666e-01 4.191033165e+00 6.081339957e+00 6.081339961e+00 -1.052353691e+00 3.958179184e-01 4.842941243e+00 -1.073949664e+00 1.503325806e-01 1.34 5.131902823e+00 3.638015144e-01 3.399687518e+00 5.131902827e+00 5.131902830e+00 -1.150558249e+00 5.913365473e-02 4.002091482e+00 -1.190496529e+00 -1.231475612e-01 1.36 4.277191976e+00 -2.386402050e-02 2.693874851e+00 4.277191979e+00 4.277191982e+00 -1.232658586e+00 -2.345137172e-01 3.248704881e+00 -1.286751774e+00 -3.631305633e-01 1.38 3.509213882e+00 -3.575993150e-01 2.065896935e+00 3.509213884e+00 3.509213887e+00 -1.300222707e+00 -4.893095143e-01 2.575177474e+00 -1.364886763e+00 -5.726706911e-01 1.40 2.820591659e+00 -6.430542495e-01 1.508686243e+00 2.820591661e+00 2.820591663e+00 -1.354690762e+00 -7.090776185e-01 1.974506755e+00 -1.426875687e+00 -7.545769094e-01 1.42 2.204519859e+00 -8.853580056e-01 1.015756922e+00 2.204519861e+00 2.204519863e+00 -1.397384621e+00 -8.973098086e-01 1.440246581e+00 -1.474512073e+00 -9.114313506e-01 1.44 1.654722480e+00 -1.089163744e+00 5.811594877e-01 1.654722481e+00 1.654722483e+00 -1.429516746e+00 -1.057192784e+00 9.664653557e-01 -1.509423965e+00 -1.045606436e+00 1.46 1.165413981e+00 -1.258689590e+00 1.994389392e-01 1.165413983e+00 1.165413984e+00 -1.452198447e+00 -1.191633061e+00 5.477072722e-01 -1.533087887e+00 -1.159280744e+00 1.48 7.312630886e-01 -1.397756223e+00 -1.344039389e-01 7.312630898e-01 7.312630910e-01 -1.466447520e+00 -1.303279899e+00 1.789563881e-01 -1.546841675e+00 -1.254453724e+00 1.50 3.473591903e-01 -1.509821359e+00 -4.249483431e-01 3.473591913e-01 3.473591923e-01 -1.473195356e+00 -1.394546425e+00 -1.443966727e-01 -1.551896272e+00 -1.332959320e+00 1.52 9.181146492e-03 -1.598011363e+00 -6.763864976e-01 9.181147291e-03 9.181148089e-03 -1.473293507e+00 -1.467629082e+00 -4.265855753e-01 -1.549346571e+00 -1.396478613e+00 1.54 -2.874316641e-01 -1.665150238e+00 -8.925541879e-01 -2.874316635e-01 -2.874316628e-01 -1.467515812e+00 -1.524525543e+00 -6.714968668e-01 -1.540181344e+00 -1.446551520e+00 1.56 -5.463062149e-01 -1.713786201e+00 -1.076958969e+00 -5.463062144e-01 -5.463062139e-01 -1.456556584e+00 -1.567051201e+00 -8.826964691e-01 -1.525292475e+00 -1.484587640e+00 1.58 -7.709607683e-01 -1.746216043e+00 -1.232806224e+00 -7.709607679e-01 -7.709607675e-01 -1.441102609e+00 -1.596854354e+00 -1.063454223e+00 -1.505482957e+00 -1.511876300e+00 1.60 -9.646280150e-01 -1.764507452e+00 -1.363023231e+00 -9.646280147e-01 -9.646280144e-01 -1.421728532e+00 -1.615430183e+00 -1.216766625e+00 -1.481476184e+00 -1.529595862e+00 1.62 -1.130276544e+00 -1.770519470e+00 -1.470281397e+00 -1.130276544e+00 -1.130276544e+00 -1.398964007e+00 -1.624133617e+00 -1.345377886e+00 -1.453920837e+00 -1.538822338e+00 1.64 -1.270630761e+00 -1.765921232e+00 -1.557016784e+00 -1.270630761e+00 -1.270630761e+00 -1.373295464e+00 -1.624191169e+00 -1.451799437e+00 -1.423397621e+00 -1.540537374e+00 1.66 -1.388189365e+00 -1.752209131e+00 -1.625449065e+00 -1.388189365e+00 -1.388189365e+00 -1.345163990e+00 -1.616711835e+00 -1.538327993e+00 -1.390424137e+00 -1.535635638e+00 1.68 -1.485242488e+00 -1.730722532e+00 -1.677599028e+00 -1.485242488e+00 -1.485242488e+00 -1.314968927e+00 -1.602697109e+00 -1.607062273e+00 -1.355472185e+00 -1.524931664e+00 1.70 -1.563887589e+00 -1.702658164e+00 -1.715304731e+00 -1.563887589e+00 -1.563887589e+00 -1.283071197e+00 -1.583050206e+00 -1.659918493e+00 -1.318954214e+00 -1.509166123e+00 1.72 -1.626044197e+00 -1.669083287e+00 -1.740236412e+00 -1.626044197e+00 -1.626044197e+00 -1.249796388e+00 -1.558584535e+00 -1.698644693e+00 -1.281236535e+00 -1.489011550e+00 1.74 -1.673467574e+00 -1.630947738e+00 -1.753910257e+00 -1.673467574e+00 -1.673467575e+00 -1.215437613e+00 -1.530031494e+00 -1.724834009e+00 -1.242645336e+00 -1.465078690e+00 1.76 -1.707761393e+00 -1.589094952e+00 -1.757701095e+00 -1.707761393e+00 -1.707761393e+00 -1.180258147e+00 -1.498047629e+00 -1.739936951e+00 -1.203468847e+00 -1.437920389e+00 1.78 -1.730389478e+00 -1.544272033e+00 -1.752854115e+00 -1.730389478e+00 -1.730389478e+00 -1.144493886e+00 -1.463221221e+00 -1.745272769e+00 -1.163960898e+00 -1.408036315e+00 1.80 -1.742686698e+00 -1.497138964e+00 -1.740495673e+00 -1.742686698e+00 -1.742686698e+00 -1.108355603e+00 -1.426078331e+00 -1.742039962e+00 -1.124340769e+00 -1.375877820e+00 1.82 -1.745869057e+00 -1.448277015e+00 -1.721643256e+00 -1.745869057e+00 -1.745869057e+00 -1.072031051e+00 -1.387088352e+00 -1.731326005e+00 -1.084770819e+00 -1.341851667e+00 1.84 -1.741043040e+00 -1.398196421e+00 -1.697214673e+00 -1.741043040e+00 -1.741043040e+00 -1.035686900e+00 -1.346669109e+00 -1.714116347e+00 -1.045426138e+00 -1.306323704e+00 1.86 -1.729214281e+00 -1.347343392e+00 -1.668036524e+00 -1.729214281e+00 -1.729214281e+00 -9.994705350e-01 -1.305191537e+00 -1.691302725e+00 -1.006559540e+00 -1.269622255e+00 1.88 -1.711295585e+00 -1.296106501e+00 -1.634852004e+00 -1.711295585e+00 -1.711295585e+00 -9.635117098e-01 -1.262983977e+00 -1.663690859e+00 -9.682188460e-01 -1.232041261e+00 1.90 -1.688114361e+00 -1.244822511e+00 -1.598328095e+00 -1.688114361e+00 -1.688114361e+00 -9.279240847e-01 -1.220336110e+00 -1.632007556e+00 -9.305107318e-01 -1.193843180e+00 1.92 -1.660419505e+00 -1.193781680e+00 -1.559062187e+00 -1.660419505e+00 -1.660419505e+00 -8.928066422e-01 -1.177502568e+00 -1.596907286e+00 -8.935253389e-01 -1.155261666e+00 1.94 -1.628887770e+00 -1.143232594e+00 -1.517588178e+00 -1.628887771e+00 -1.628887771e+00 -8.582449960e-01 -1.134706245e+00 -1.558978247e+00 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