# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Al3Mo # 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 2024-04-11 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 1.399682518e+02 nan nan 1.16 1.293856814e+02 nan nan 1.18 1.196278082e+02 nan nan 1.20 1.106207774e+02 nan nan 1.22 1.022948867e+02 nan nan 1.24 9.458700720e+01 nan nan 1.26 8.744287416e+01 nan nan 1.28 8.081660765e+01 1.224725248e+02 1.396165145e+02 1.30 7.466858657e+01 1.139628341e+02 1.301288448e+02 1.32 6.896363197e+01 1.060445734e+02 1.213043708e+02 1.34 6.366953617e+01 9.867401323e+01 1.130926846e+02 1.36 5.875569813e+01 9.181131579e+01 1.054467872e+02 1.38 5.419257573e+01 8.542011101e+01 9.832159733e+01 1.40 4.995233851e+01 7.946644406e+01 9.167365792e+01 1.42 4.600983448e+01 7.391752835e+01 8.546267601e+01 1.44 4.234271349e+01 6.874094198e+01 7.965347657e+01 1.46 3.893064377e+01 6.390485135e+01 7.421657798e+01 1.48 3.575446794e+01 5.937945160e+01 6.912718034e+01 1.50 3.279696123e+01 5.513883000e+01 6.436352315e+01 1.52 3.004322153e+01 5.116191011e+01 5.990549259e+01 1.54 2.747775870e+01 4.743190898e+01 5.573387071e+01 1.56 2.508858972e+01 4.393491900e+01 5.183012101e+01 1.58 2.286816811e+01 4.065850255e+01 4.817636887e+01 1.60 2.080474222e+01 3.759071044e+01 4.475539746e+01 1.62 1.888702325e+01 3.471955395e+01 4.155065936e+01 1.64 1.710443924e+01 3.203438766e+01 3.854629875e+01 1.66 1.544727274e+01 2.952348994e+01 3.572720896e+01 1.68 1.390685705e+01 2.717427261e+01 3.307986552e+01 1.70 1.247564741e+01 2.497622891e+01 3.059359999e+01 1.72 1.114708322e+01 2.292182121e+01 2.825722851e+01 1.74 9.915295605e+00 2.100277454e+01 2.606110977e+01 1.76 8.774778919e+00 1.921014872e+01 2.400031948e+01 1.78 7.720122061e+00 1.753585007e+01 2.206954451e+01 1.80 6.745838543e+00 1.597249348e+01 2.026188687e+01 1.82 5.846295277e+00 1.451336266e+01 1.857072792e+01 1.84 5.015742720e+00 1.315237933e+01 1.698944385e+01 1.86 4.248459974e+00 1.188400510e+01 1.551122788e+01 1.88 3.538993256e+00 1.070306788e+01 1.412906655e+01 1.90 2.882395320e+00 9.604552880e+00 1.283592282e+01 1.92 2.274351663e+00 8.583418338e+00 1.162509346e+01 1.94 1.711149889e+00 7.634500075e+00 1.049057982e+01 1.96 1.189548403e+00 6.752546818e+00 9.427272940e+00 1.98 7.066419411e-01 5.932375910e+00 8.430873720e+00 2.00 2.597882120e-01 5.169082936e+00 7.497636415e+00 2.02 -1.533997255e-01 4.458217183e+00 6.624097644e+00 2.04 -5.350321251e-01 3.795854970e+00 5.806908798e+00 2.06 -8.869389354e-01 3.178550864e+00 5.042800391e+00 2.08 -1.210714917e+00 2.603202901e+00 4.328638355e+00 2.10 -1.507816060e+00 2.066903235e+00 3.661506024e+00 2.12 -1.779682116e+00 1.566838859e+00 3.038756494e+00 2.14 -2.027844512e+00 1.100269196e+00 2.458008864e+00 2.16 -2.253981952e+00 6.645681768e-01 1.917090689e+00 2.18 -2.459905400e+00 2.572975186e-01 1.413947662e+00 2.20 -2.647476296e+00 -1.237233558e-01 9.465509439e-01 2.22 -2.818379268e+00 -4.803750749e-01 5.128352774e-01 2.24 -2.974317379e+00 -8.142328135e-01 1.106923798e-01 2.26 -3.116820838e+00 -1.126592420e+00 -2.619772770e-01 2.28 -3.247115419e+00 -1.418514594e+00 -6.071805944e-01 2.30 -3.366147544e+00 -1.690872747e+00 -9.267585524e-01 2.32 -3.474637129e+00 -1.944395917e+00 -1.222356968e+00 2.34 -3.573140349e+00 -2.179704069e+00 -1.495446852e+00 2.36 -3.662108353e+00 -2.397338522e+00 -1.747375741e+00 2.38 -3.741932524e+00 -2.597791007e+00 -1.979424524e+00 2.40 -3.812917266e+00 -2.781534061e+00 -2.192851816e+00 2.42 -3.875303971e+00 -2.949027682e+00 -2.388919578e+00 2.44 -3.929366548e+00 -3.100709617e+00 -2.568900730e+00 2.46 -3.975415662e+00 -3.237249092e+00 -2.734071703e+00 2.48 -4.013791279e+00 -3.359412366e+00 -2.885692060e+00 2.50 -4.044848584e+00 -3.468047345e+00 -3.024971936e+00 2.52 -4.068938843e+00 -3.564080877e+00 -3.152933700e+00 2.54 -4.086390561e+00 -3.648510796e+00 -3.270597133e+00 2.56 -4.098380323e+00 -3.722396320e+00 -3.378908923e+00 2.58 -4.106727131e+00 -3.786844801e+00 -3.478622359e+00 2.60 -4.110872957e+00 -3.842972885e+00 -3.570309114e+00 2.62 -4.110309656e+00 -3.891749711e+00 -3.654385132e+00 2.64 -4.104688482e+00 -3.934034144e+00 -3.731143155e+00 2.66 -4.093827800e+00 -3.970597808e+00 -3.800784931e+00 2.68 -4.077708294e+00 -4.002072809e+00 -3.863449743e+00 2.70 -4.056452080e+00 -4.028923775e+00 -3.919217145e+00 2.72 -4.030302204e+00 -4.051450547e+00 -3.968051174e+00 2.74 -3.999608561e+00 -4.069922324e+00 -4.009908592e+00 2.76 -3.964734913e+00 -4.085094558e+00 -4.044791373e+00 2.78 -3.926016614e+00 -4.096820831e+00 -4.072769063e+00 2.80 -3.883739933e+00 -4.104942362e+00 -4.094004540e+00 2.82 -3.838131297e+00 -4.110178992e+00 -4.108778675e+00 2.84 -3.789355573e+00 -4.112174803e+00 -4.117506814e+00 2.86 -3.737522551e+00 -4.110421247e+00 -4.121053636e+00 2.88 -3.682700705e+00 -4.104511050e+00 -4.121697872e+00 2.90 -3.624936165e+00 -4.094133248e+00 -4.119796608e+00 2.92 -3.564274445e+00 -4.079083582e+00 -4.115448441e+00 2.94 -3.500782106e+00 -4.059245652e+00 -4.108787219e+00 2.96 -3.434566031e+00 -4.034589423e+00 -4.099927432e+00 2.98 -3.365788928e+00 -4.005178100e+00 -4.088926054e+00 3.00 -3.294679766e+00 -3.971183723e+00 -4.075764748e+00 3.02 -3.221538315e+00 -3.932897175e+00 -4.060351581e+00 3.04 -3.146733092e+00 -3.890700052e+00 -4.042537962e+00 3.06 -3.070692432e+00 -3.845044467e+00 -4.022159848e+00 3.08 -2.993889012e+00 -3.796424364e+00 -3.999051735e+00 3.10 -2.916819087e+00 -3.745339724e+00 -3.973046223e+00 3.12 -2.839978583e+00 -3.692259449e+00 -3.943989207e+00 3.14 -2.763838800e+00 -3.637589981e+00 -3.911749650e+00 3.16 -2.688824643e+00 -3.581654825e+00 -3.876224552e+00 3.18 -2.615297844e+00 -3.524687634e+00 -3.837340488e+00 3.20 -2.543546701e+00 -3.466837582e+00 -3.795053085e+00 3.22 -2.473782728e+00 -3.408183789e+00 -3.749345729e+00 3.24 -2.406143525e+00 -3.348754655e+00 -3.700228424e+00 3.26 -2.340700405e+00 -3.288548424e+00 -3.647737597e+00 3.28 -2.277468969e+00 -3.227552431e+00 -3.591937200e+00 3.30 -2.216420881e+00 -3.165759623e+00 -3.532921249e+00 3.32 -2.157495414e+00 -3.103181793e+00 -3.470817639e+00 3.34 -2.100609785e+00 -3.039859418e+00 -3.405792835e+00 3.36 -2.045667826e+00 -2.975868169e+00 -3.338056818e+00 3.38 -1.992566692e+00 -2.911322127e+00 -3.267867539e+00 3.40 -1.941201903e+00 -2.846373737e+00 -3.195534030e+00 3.42 -1.891470782e+00 -2.781210611e+00 -3.121417325e+00 3.44 -1.843274715e+00 -2.716049317e+00 -3.045928390e+00 3.46 -1.796520316e+00 -2.651126741e+00 -2.969522372e+00 3.48 -1.751120000e+00 -2.586689680e+00 -2.892688762e+00 3.50 -1.706991946e+00 -2.522983632e+00 -2.815937343e+00 3.52 -1.664059781e+00 -2.460241856e+00 -2.739780599e+00 3.54 -1.622251905e+00 -2.398675673e+00 -2.664713347e+00 3.56 -1.581500783e+00 -2.338466811e+00 -2.591191981e+00 3.58 -1.541742093e+00 -2.279762276e+00 -2.519615234e+00 3.60 -1.502913852e+00 -2.222671863e+00 -2.450308942e+00 3.62 -1.464955528e+00 -2.167268138e+00 -2.383516593e+00 3.64 -1.427807185e+00 -2.113588456e+00 -2.319396487e+00 3.66 -1.391408675e+00 -2.061638465e+00 -2.258025250e+00 3.68 -1.355698894e+00 -2.011396506e+00 -2.199406451e+00 3.70 -1.320615149e+00 -1.962818385e+00 -2.143482575e+00 3.72 -1.286092670e+00 -1.915842088e+00 -2.090148458e+00 3.74 -1.252064316e+00 -1.870392144e+00 -2.039264595e+00 3.76 -1.218460543e+00 -1.826383462e+00 -1.990669192e+00 3.78 -1.185209708e+00 -1.783724574e+00 -1.944188346e+00 3.80 -1.152238802e+00 -1.742320288e+00 -1.899644165e+00 3.82 -1.119474699e+00 -1.702073820e+00 -1.856860931e+00 3.84 -1.086846006e+00 -1.662888476e+00 -1.815669586e+00 3.86 -1.054285562e+00 -1.624668974e+00 -1.775910864e+00 3.88 -1.021733628e+00 -1.587322479e+00 -1.737437396e+00 3.90 -9.891416645e-01 -1.550759403e+00 -1.700115026e+00 3.92 -9.564765589e-01 -1.514894007e+00 -1.663823529e+00 3.94 -9.237250193e-01 -1.479644885e+00 -1.628456935e+00 3.96 -8.908975807e-01 -1.444935195e+00 -1.593923321e+00 3.98 -8.580318050e-01 -1.410692893e+00 -1.560144410e+00 4.00 -8.251938943e-01 -1.376850828e+00 -1.527054801e+00 4.02 -7.924781449e-01 -1.343346837e+00 -1.494600951e+00 4.04 -7.600037758e-01 -1.310123899e+00 -1.462739966e+00 4.06 -7.279089946e-01 -1.277130439e+00 -1.431438232e+00 4.08 -6.963426011e-01 -1.244320865e+00 -1.400669988e+00 4.10 -6.654538920e-01 -1.211656384e+00 -1.370415886e+00 4.12 -6.353820147e-01 -1.179106322e+00 -1.340661600e+00 4.14 -6.062460957e-01 -1.146649481e+00 -1.311396553e+00 4.16 -5.781373919e-01 -1.114276091e+00 -1.282612758e+00 4.18 -5.511143804e-01 -1.081989717e+00 -1.254303834e+00 4.20 -5.252011977e-01 -1.049809095e+00 -1.226464165e+00 4.22 -5.003894541e-01 -1.017769548e+00 -1.199088217e+00 4.24 -4.766425896e-01 -9.859236346e-01 -1.172169992e+00 4.26 -4.539024002e-01 -9.543407063e-01 -1.145702594e+00 4.28 -4.320965199e-01 -9.231050881e-01 -1.119677902e+00 4.30 -4.111461634e-01 -8.923127924e-01 -1.094086307e+00 4.32 -3.909734098e-01 -8.620668510e-01 -1.068916516e+00 4.34 -3.715075037e-01 -8.324715962e-01 -1.044155392e+00 4.36 -3.526898006e-01 -8.036264190e-01 -1.019787821e+00 4.38 -3.344771582e-01 -7.756196562e-01 -9.957965953e-01 4.40 -3.168435655e-01 -7.485232635e-01 -9.721623065e-01 4.42 -2.997801219e-01 -7.223888188e-01 -9.488632442e-01 4.44 -2.832933740e-01 -6.972451873e-01 -9.258752964e-01 4.46 -2.674022780e-01 -6.730979315e-01 -9.031718549e-01 4.48 -2.521341318e-01 -6.499303105e-01 -8.807237304e-01 4.50 -2.375199325e-01 -6.277055392e-01 -8.584990836e-01 4.52 -2.235896659e-01 -6.063698886e-01 -8.364633497e-01 4.54 -2.103680280e-01 -5.858562020e-01 -8.145793799e-01 4.56 -1.978709880e-01 -5.660874634e-01 -7.928072799e-01 4.58 -1.861034710e-01 -5.469801471e-01 -7.711047057e-01 4.60 -1.750582625e-01 -5.284471879e-01 -7.494270731e-01 4.62 -1.647160794e-01 -5.104005068e-01 -7.277279477e-01 4.64 -1.550466228e-01 -4.927531056e-01 -7.059596074e-01 4.66 -1.460103502e-01 -4.754207943e-01 -6.840738150e-01 4.68 -1.375606850e-01 -4.583236473e-01 -6.620228358e-01 4.70 -1.296464011e-01 -4.413872899e-01 -6.397607313e-01 4.72 -1.222139702e-01 -4.245441128e-01 -6.172449537e-01 4.74 -1.152097365e-01 -4.077344914e-01 -5.944382453e-01 4.76 -1.085818068e-01 -3.909080600e-01 -5.713108279e-01 4.78 -1.022816304e-01 -3.740250569e-01 -5.478428316e-01 4.80 -9.626525798e-02 -3.570576989e-01 -5.240268719e-01 4.82 -9.049431985e-02 -3.399916182e-01 -4.998706369e-01 4.84 -8.493669962e-02 -3.228270003e-01 -4.753992961e-01 4.86 -7.956679964e-02 -3.055796251e-01 -4.506575003e-01 4.88 -7.436581013e-02 -2.882813799e-01 -4.257107090e-01 4.90 -6.932195043e-02 -2.709801804e-01 -4.006455834e-01 4.92 -6.442960738e-02 -2.537391326e-01 -3.755692127e-01 4.94 -5.968875640e-02 -2.366348360e-01 -3.506070149e-01 4.96 -5.510414167e-02 -2.197548035e-01 -3.258992737e-01 4.98 -5.068424626e-02 -2.031940754e-01 -3.015964116e-01 5.00 -4.644011805e-02 -1.870512035e-01 -2.778532625e-01 5.02 -4.238412801e-02 -1.714238782e-01 -2.548227454e-01 5.04 -3.852873841e-02 -1.564045316e-01 -2.326494361e-01 5.06 -3.488537362e-02 -1.420762688e-01 -2.114635741e-01 5.08 -3.146348496e-02 -1.285094508e-01 -1.913759926e-01 5.10 -2.826983870e-02 -1.157591771e-01 -1.724743583e-01 5.12 -2.530806682e-02 -1.038638177e-01 -1.548209448e-01 5.14 -2.257848272e-02 -9.284459530e-02 -1.384519919e-01 5.16 -2.007778557e-02 -8.270616037e-02 -1.233785349e-01 5.18 -1.779981349e-02 -7.343796862e-02 -1.095884611e-01 5.20 -1.573638192e-02 -6.501626669e-02 -9.704946778e-02 5.22 -1.387706054e-02 -5.740644655e-02 -8.571257606e-02 5.24 -1.220973300e-02 -5.056553750e-02 -7.551588129e-02 5.26 -1.072114989e-02 -4.444460568e-02 -6.638821032e-02 5.28 -9.397436203e-03 -3.899061973e-02 -5.825252223e-02 5.30 -8.224531780e-03 -3.414939753e-02 -5.102888327e-02 5.32 -7.188554033e-03 -2.986679991e-02 -4.463699454e-02 5.34 -6.276081161e-03 -2.608979264e-02 -3.899818659e-02 5.36 -5.474360147e-03 -2.276747054e-02 -3.403690615e-02 5.38 -4.771447761e-03 -1.985137498e-02 -2.968116327e-02 5.40 -4.156294760e-03 -1.729684713e-02 -2.586461719e-02 5.42 -3.618784038e-03 -1.506303735e-02 -2.252653780e-02 5.44 -3.149732986e-03 -1.311258333e-02 -1.961112663e-02 5.46 -2.740869323e-03 -1.141163302e-02 -1.706805317e-02 5.48 -2.384788284e-03 -9.929753470e-03 -1.485213078e-02 5.50 -2.074897680e-03 -8.639762683e-03 -1.292291394e-02 5.52 -1.805355948e-03 -7.517513841e-03 -1.124441788e-02 5.54 -1.571007155e-03 -6.541653682e-03 -9.784776764e-03 5.56 -1.367315823e-03 -5.693371092e-03 -8.515921349e-03 5.58 -1.190303637e-03 -4.956147232e-03 -7.413162655e-03 5.60 -1.036489405e-03 -4.315514826e-03 -6.454877388e-03 5.62 -9.028331004e-04 -3.758831484e-03 -5.622164075e-03 5.64 -7.866844352e-04 -3.275069846e-03 -4.898532314e-03 5.66 -6.857361263e-04 -2.854625852e-03 -4.269617959e-03 5.68 -5.979818027e-04 -2.489145391e-03 -3.722925038e-03 5.70 -5.216783744e-04 -2.171368876e-03 -3.247594002e-03 5.72 -4.553125941e-04 -1.894992834e-03 -2.834195130e-03 5.74 -3.975714933e-04 -1.654547338e-03 -2.474545433e-03 5.76 -3.473163535e-04 -1.445287952e-03 -2.161547162e-03 5.78 -3.035598697e-04 -1.263100838e-03 -1.889045927e-03 5.80 -2.654461736e-04 -1.104419683e-03 -1.651706464e-03 5.82 -2.322333989e-04 -9.661531549e-04 -1.444904121e-03 5.84 -2.032784981e-04 -8.456216937e-04 -1.264630302e-03 5.86 -1.780240392e-04 -7.405025307e-04 -1.107410213e-03 5.88 -1.559867418e-04 -6.487819328e-04 -9.702314086e-04 5.90 -1.367475341e-04 -5.687137727e-04 -8.504818096e-04 5.92 -1.199429349e-04 -4.987836195e-04 -7.458959718e-04 5.94 -1.052575918e-04 -4.376776363e-04 -6.545085519e-04 5.96 -9.241782188e-05 -3.842556582e-04 -5.746140256e-04 5.98 -8.118602340e-05 -3.375278970e-04 -5.047318344e-04 6.00 -7.135584197e-05 -2.966347914e-04 -4.435762371e-04