# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgCu3 # 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 2023-05-12 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 1.392090936e+02 nan nan 0.84 1.279471214e+02 nan nan 0.86 1.176941777e+02 nan nan 0.88 1.082971652e+02 nan nan 0.90 9.969510510e+01 1.364094232e+02 nan 0.92 9.181201684e+01 1.262642701e+02 1.396551897e+02 0.94 8.457676198e+01 1.169502866e+02 1.294359833e+02 0.96 7.797350283e+01 1.083214132e+02 1.200391592e+02 0.98 7.194493082e+01 1.003526368e+02 1.113731930e+02 1.00 6.642457935e+01 9.305015207e+01 1.033888547e+02 1.02 6.131804936e+01 8.634400715e+01 9.604850721e+01 1.04 5.658160018e+01 8.014923332e+01 8.927943903e+01 1.06 5.220937043e+01 7.442851069e+01 8.303437513e+01 1.08 4.817610710e+01 6.913542687e+01 7.726454433e+01 1.10 4.447174491e+01 6.422622088e+01 7.191005854e+01 1.12 4.108099979e+01 5.968266753e+01 6.695731801e+01 1.14 3.793902042e+01 5.548217866e+01 6.238997302e+01 1.16 3.500413103e+01 5.160129735e+01 5.813811562e+01 1.18 3.227998001e+01 4.800008358e+01 5.415560003e+01 1.20 2.977669947e+01 4.465189732e+01 5.044332723e+01 1.22 2.746622882e+01 4.151668858e+01 4.700726942e+01 1.24 2.532281485e+01 3.855899580e+01 4.381638830e+01 1.26 2.333916647e+01 3.578734484e+01 4.084466210e+01 1.28 2.151228086e+01 3.321568602e+01 3.807729139e+01 1.30 1.982942412e+01 3.083052187e+01 3.548821965e+01 1.32 1.826558245e+01 2.861017998e+01 3.306531666e+01 1.34 1.680077740e+01 2.654742332e+01 3.079279588e+01 1.36 1.542250093e+01 2.462886391e+01 2.866403677e+01 1.38 1.412355969e+01 2.283404151e+01 2.668207645e+01 1.40 1.290598024e+01 2.114945285e+01 2.483397578e+01 1.42 1.178003311e+01 1.957014523e+01 2.309629990e+01 1.44 1.074552568e+01 1.809984712e+01 2.146569954e+01 1.46 9.787838679e+00 1.674193706e+01 1.994320627e+01 1.48 8.895412216e+00 1.548468150e+01 1.852021910e+01 1.50 8.057558165e+00 1.431200646e+01 1.718478409e+01 1.52 7.271008860e+00 1.322262824e+01 1.593324949e+01 1.54 6.534890236e+00 1.221641268e+01 1.475962436e+01 1.56 5.850424407e+00 1.128701385e+01 1.365611286e+01 1.58 5.214214895e+00 1.041522251e+01 1.261127090e+01 1.60 4.625470869e+00 9.587910072e+00 1.161926031e+01 1.62 4.077990535e+00 8.796806876e+00 1.068513209e+01 1.64 3.563062059e+00 8.036996229e+00 9.815839807e+00 1.66 3.077829574e+00 7.310661076e+00 9.016226451e+00 1.68 2.620740402e+00 6.623653269e+00 8.275213620e+00 1.70 2.189514154e+00 5.982528778e+00 7.580661096e+00 1.72 1.781906281e+00 5.385116843e+00 6.927927225e+00 1.74 1.395476386e+00 4.828035292e+00 6.313980627e+00 1.76 1.027771985e+00 4.305776335e+00 5.736371888e+00 1.78 6.766880498e-01 3.810436247e+00 5.192675086e+00 1.80 3.412301136e-01 3.339034647e+00 4.679044925e+00 1.82 2.211420858e-02 2.890175185e+00 4.189153547e+00 1.84 -2.796083393e-01 2.463418605e+00 3.718679748e+00 1.86 -5.628273830e-01 2.058922543e+00 3.265695864e+00 1.88 -8.279353984e-01 1.676868389e+00 2.828932689e+00 1.90 -1.076449868e+00 1.316993262e+00 2.410134131e+00 1.92 -1.308203044e+00 9.769345996e-01 2.012584334e+00 1.94 -1.522253876e+00 6.541669399e-01 1.639232713e+00 1.96 -1.717800718e+00 3.477728449e-01 1.291643054e+00 1.98 -1.896469799e+00 5.712453712e-02 9.662600881e-01 2.00 -2.060640018e+00 -2.183179400e-01 6.583097748e-01 2.02 -2.211329396e+00 -4.790345451e-01 3.659868976e-01 2.04 -2.349204867e+00 -7.255394698e-01 8.801765342e-02 2.06 -2.475181665e+00 -9.584029190e-01 -1.768191600e-01 2.08 -2.590355679e+00 -1.178625181e+00 -4.294938184e-01 2.10 -2.695744672e+00 -1.387305544e+00 -6.708096285e-01 2.12 -2.791737419e+00 -1.584967173e+00 -9.003615659e-01 2.14 -2.878353222e+00 -1.771810902e+00 -1.117020927e+00 2.16 -2.955594208e+00 -1.948061005e+00 -1.319640946e+00 2.18 -3.023465321e+00 -2.113976805e+00 -1.507097559e+00 2.20 -3.082737568e+00 -2.269823520e+00 -1.679820401e+00 2.22 -3.135263286e+00 -2.415114312e+00 -1.840589938e+00 2.24 -3.182543516e+00 -2.548720321e+00 -1.991707208e+00 2.26 -3.224324055e+00 -2.668928613e+00 -2.134015763e+00 2.28 -3.259205339e+00 -2.774130564e+00 -2.268202671e+00 2.30 -3.285729444e+00 -2.865049550e+00 -2.394877346e+00 2.32 -3.302193152e+00 -2.944548493e+00 -2.514140143e+00 2.34 -3.307225604e+00 -3.014324834e+00 -2.625860579e+00 2.36 -3.302244516e+00 -3.074858161e+00 -2.729909203e+00 2.38 -3.289678969e+00 -3.126710901e+00 -2.826339453e+00 2.40 -3.270939364e+00 -3.170442908e+00 -2.915818839e+00 2.42 -3.246596386e+00 -3.206610756e+00 -2.999078933e+00 2.44 -3.217208308e+00 -3.235767479e+00 -3.075866315e+00 2.46 -3.183369809e+00 -3.258462285e+00 -3.145132230e+00 2.48 -3.145572378e+00 -3.275240246e+00 -3.205799420e+00 2.50 -3.104250897e+00 -3.286641967e+00 -3.256785834e+00 2.52 -3.059946902e+00 -3.293211310e+00 -3.297082770e+00 2.54 -3.013146208e+00 -3.295532678e+00 -3.327317029e+00 2.56 -2.964314959e+00 -3.294199674e+00 -3.349626025e+00 2.58 -2.913857690e+00 -3.289432423e+00 -3.365559859e+00 2.60 -2.862039701e+00 -3.280762376e+00 -3.375354927e+00 2.62 -2.809106576e+00 -3.267643902e+00 -3.379247904e+00 2.64 -2.755303072e+00 -3.249528227e+00 -3.377474894e+00 2.66 -2.700791087e+00 -3.225863150e+00 -3.370271360e+00 2.68 -2.645506971e+00 -3.196405478e+00 -3.357872055e+00 2.70 -2.589347869e+00 -3.162339708e+00 -3.340518055e+00 2.72 -2.532209628e+00 -3.125240662e+00 -3.318502117e+00 2.74 -2.474018468e+00 -3.086143144e+00 -3.292139592e+00 2.76 -2.414934847e+00 -3.045372925e+00 -3.261744871e+00 2.78 -2.355223179e+00 -3.003156505e+00 -3.227631165e+00 2.80 -2.295146138e+00 -2.959714388e+00 -3.190110383e+00 2.82 -2.234963834e+00 -2.915163335e+00 -3.149492994e+00 2.84 -2.174918017e+00 -2.869337326e+00 -3.106087886e+00 2.86 -2.115138180e+00 -2.822021972e+00 -3.060202195e+00 2.88 -2.055703205e+00 -2.773002203e+00 -3.012141131e+00 2.90 -1.996685660e+00 -2.722074354e+00 -2.962208487e+00 2.92 -1.938117093e+00 -2.669270158e+00 -2.910719701e+00 2.94 -1.879996678e+00 -2.614834629e+00 -2.858001399e+00 2.96 -1.822349506e+00 -2.559019438e+00 -2.804371640e+00 2.98 -1.765210618e+00 -2.502075026e+00 -2.749969013e+00 3.00 -1.708614937e+00 -2.444250455e+00 -2.694756084e+00 3.02 -1.652597188e+00 -2.385793250e+00 -2.638686742e+00 3.04 -1.597191816e+00 -2.326949216e+00 -2.581713364e+00 3.06 -1.542432890e+00 -2.267962234e+00 -2.523786644e+00 3.08 -1.488353991e+00 -2.209066976e+00 -2.464861441e+00 3.10 -1.434988078e+00 -2.150439228e+00 -2.405168052e+00 3.12 -1.382380827e+00 -2.092230041e+00 -2.345321653e+00 3.14 -1.330624427e+00 -2.034604983e+00 -2.285956453e+00 3.16 -1.279806787e+00 -1.977696607e+00 -2.227486233e+00 3.18 -1.229999466e+00 -1.921577046e+00 -2.170039625e+00 3.20 -1.181271396e+00 -1.866263208e+00 -2.113651314e+00 3.22 -1.133693553e+00 -1.811763017e+00 -2.058342922e+00 3.24 -1.087355788e+00 -1.758083562e+00 -2.004132696e+00 3.26 -1.042354280e+00 -1.705230834e+00 -1.950971557e+00 3.28 -9.987856108e-01 -1.653209423e+00 -1.898741333e+00 3.30 -9.567463212e-01 -1.602023468e+00 -1.847319803e+00 3.32 -9.163323113e-01 -1.551691868e+00 -1.796583661e+00 3.34 -8.776380651e-01 -1.502242645e+00 -1.746408518e+00 3.36 -8.407556924e-01 -1.453700938e+00 -1.696710678e+00 3.38 -8.057734428e-01 -1.406088286e+00 -1.647501716e+00 3.40 -7.727743039e-01 -1.359422162e+00 -1.598804931e+00 3.42 -7.418163831e-01 -1.313715593e+00 -1.550641494e+00 3.44 -7.127611687e-01 -1.268976900e+00 -1.503030170e+00 3.46 -6.853446718e-01 -1.225209600e+00 -1.455986982e+00 3.48 -6.592860836e-01 -1.182412491e+00 -1.409524840e+00 3.50 -6.342864793e-01 -1.140579930e+00 -1.363653110e+00 3.52 -6.100257542e-01 -1.099702226e+00 -1.318377128e+00 3.54 -5.861594808e-01 -1.059766108e+00 -1.273697614e+00 3.56 -5.623389986e-01 -1.020759480e+00 -1.229604116e+00 3.58 -5.385206181e-01 -9.826803387e-01 -1.186061157e+00 3.60 -5.148800502e-01 -9.455338744e-01 -1.143035425e+00 3.62 -4.915924528e-01 -9.093541184e-01 -1.100532325e+00 3.64 -4.687406919e-01 -8.741275252e-01 -1.058566584e+00 3.66 -4.461938608e-01 -8.397649466e-01 -1.017153761e+00 3.68 -4.238311750e-01 -8.061712317e-01 -9.763102275e-01 3.70 -4.021176666e-01 -7.732508980e-01 -9.360530874e-01 3.72 -3.814326752e-01 -7.409079888e-01 -8.964000910e-01 3.74 -3.611505104e-01 -7.090458544e-01 -8.573695021e-01 3.76 -3.401987171e-01 -6.775670222e-01 -8.189796708e-01 3.78 -3.176792593e-01 -6.463991502e-01 -7.812490185e-01 3.80 -2.939873306e-01 -6.156347611e-01 -7.441953144e-01 3.82 -2.706820600e-01 -5.854464358e-01 -7.078465356e-01 3.84 -2.492380430e-01 -5.560942438e-01 -6.722534517e-01 3.86 -2.302458453e-01 -5.275894538e-01 -6.374672331e-01 3.88 -2.123041035e-01 -4.998034681e-01 -6.035352256e-01 3.90 -1.944459171e-01 -4.727597351e-01 -5.704997965e-01 3.92 -1.762876969e-01 -4.464864950e-01 -5.383968852e-01 3.94 -1.579411775e-01 -4.209976581e-01 -5.072543944e-01 3.96 -1.401118745e-01 -3.963014343e-01 -4.770945610e-01 3.98 -1.241706450e-01 -3.723931187e-01 -4.479291212e-01 4.00 -1.083577419e-01 -3.491622679e-01 -4.197518906e-01 4.02 -9.317322781e-02 -3.262927477e-01 -3.925670902e-01 4.04 -7.896443153e-02 -3.047554917e-01 -3.663326459e-01 4.06 -6.594577331e-02 -2.855939823e-01 -3.409433468e-01 4.08 -5.423248234e-02 -2.683908038e-01 -3.159997022e-01 4.10 -4.386761403e-02 -2.509786860e-01 -2.927462564e-01 4.12 -3.484337116e-02 -2.313893481e-01 -2.726653541e-01 4.14 -2.711762967e-02 -2.087515832e-01 -2.542205547e-01 4.16 -2.062647262e-02 -1.836071312e-01 -2.343128274e-01 4.18 -1.529292812e-02 -1.572335910e-01 -2.111599236e-01 4.20 -1.101565649e-02 -1.312724371e-01 -1.840900915e-01 4.22 -7.668821917e-03 -1.070351586e-01 -1.551219432e-01 4.24 -5.126525801e-03 -8.536141563e-02 -1.265980773e-01 4.26 -3.265861969e-03 -6.659680742e-02 -1.001147387e-01 4.28 -1.967611856e-03 -5.076343590e-02 -7.684221650e-02 4.30 -1.116309845e-03 -3.768226924e-02 -5.718213129e-02 4.32 -5.999032105e-04 -2.705862287e-02 -4.104590614e-02 4.34 -3.091839422e-04 -1.854035551e-02 -2.806878672e-02 4.36 -1.426622049e-04 -1.177188947e-02 -1.777490784e-02 4.38 -5.043930789e-05 -6.541504602e-03 -9.851289956e-03 4.40 -1.017188831e-05 -2.748957916e-03 -4.130662031e-03 4.42 -2.614998242e-07 -4.137969879e-04 -6.208631225e-04 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