# 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 = CoCuTi2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.796690640e+02 1.796690640e+02 1.30 1.655581632e+02 1.655581632e+02 1.32 1.525438061e+02 1.525438061e+02 1.34 1.405341124e+02 1.405341124e+02 1.36 1.294455201e+02 1.294455201e+02 1.38 1.192028846e+02 1.192028846e+02 1.40 1.097382695e+02 1.097382695e+02 1.42 1.009896394e+02 1.009896394e+02 1.44 9.290018219e+01 9.290018219e+01 1.46 8.541810011e+01 8.541810011e+01 1.48 7.849627809e+01 7.849627809e+01 1.50 7.209165633e+01 7.209165633e+01 1.52 6.616455165e+01 6.616455165e+01 1.54 6.067820027e+01 6.067820027e+01 1.56 5.559862352e+01 5.559862352e+01 1.58 5.089465987e+01 5.089465987e+01 1.60 4.653794669e+01 4.653794669e+01 1.62 4.250279032e+01 4.250279032e+01 1.64 3.876590294e+01 3.876590294e+01 1.66 3.530596983e+01 3.530596983e+01 1.68 3.210315780e+01 3.210315780e+01 1.70 2.913879144e+01 2.913879144e+01 1.72 2.639535600e+01 2.639535600e+01 1.74 2.385685448e+01 2.385685448e+01 1.76 2.150847229e+01 2.150847229e+01 1.78 1.933678777e+01 1.933678777e+01 1.80 1.732885701e+01 1.732885701e+01 1.82 1.547279758e+01 1.547279758e+01 1.84 1.375773704e+01 1.375773704e+01 1.86 1.217370583e+01 1.217370583e+01 1.88 1.071146917e+01 1.071146917e+01 1.90 9.362350236e+00 9.362350236e+00 1.92 8.118103052e+00 8.118103052e+00 1.94 6.970882501e+00 6.970882501e+00 1.96 5.913316100e+00 5.913316100e+00 1.98 4.938618510e+00 4.938618510e+00 2.00 4.040654348e+00 4.040654348e+00 2.02 3.213898843e+00 3.213898843e+00 2.04 2.453326133e+00 2.453326133e+00 2.06 1.754295911e+00 1.754295911e+00 2.08 1.112489318e+00 1.112489318e+00 2.10 5.238953441e-01 5.238953441e-01 2.12 -1.518674482e-02 -1.518674482e-02 2.14 -5.081613215e-01 -5.081613215e-01 2.16 -9.581730927e-01 -9.581730927e-01 2.18 -1.368156140e+00 -1.368156140e+00 2.20 -1.740883153e+00 -1.740883153e+00 2.22 -2.079009119e+00 -2.079009119e+00 2.24 -2.385103683e+00 -2.385103683e+00 2.26 -2.661666294e+00 -2.661666294e+00 2.28 -2.911120753e+00 -2.911120753e+00 2.30 -3.135790044e+00 -3.135790044e+00 2.32 -3.337859317e+00 -3.337859317e+00 2.34 -3.519332837e+00 -3.519332837e+00 2.36 -3.681998740e+00 -3.681998740e+00 2.38 -3.827413166e+00 -3.827413166e+00 2.40 -3.956912456e+00 -3.956912456e+00 2.42 -4.071649783e+00 -4.071649783e+00 2.44 -4.172642963e+00 -4.172642963e+00 2.46 -4.260819827e+00 -4.260819827e+00 2.48 -4.337051680e+00 -4.337051680e+00 2.50 -4.402172385e+00 -4.402172385e+00 2.52 -4.456985261e+00 -4.456985261e+00 2.54 -4.502273116e+00 -4.502273116e+00 2.56 -4.538883374e+00 -4.538883374e+00 2.58 -4.567432680e+00 -4.567432680e+00 2.60 -4.588467943e+00 -4.588467943e+00 2.62 -4.602524439e+00 -4.602524439e+00 2.64 -4.610148867e+00 -4.610148867e+00 2.66 -4.611837919e+00 -4.611837919e+00 2.68 -4.608025211e+00 -4.608025211e+00 2.70 -4.599117131e+00 -4.599117131e+00 2.72 -4.585343257e+00 -4.585343257e+00 2.74 -4.566854823e+00 -4.566854823e+00 2.76 -4.543839916e+00 -4.543839916e+00 2.78 -4.516656317e+00 -4.516656317e+00 2.80 -4.485548684e+00 -4.485548684e+00 2.82 -4.450508112e+00 -4.450508112e+00 2.84 -4.411540669e+00 -4.411540669e+00 2.86 -4.368704011e+00 -4.368704011e+00 2.88 -4.322105654e+00 -4.322105654e+00 2.90 -4.271898857e+00 -4.271898857e+00 2.92 -4.218278336e+00 -4.218278336e+00 2.94 -4.161476929e+00 -4.161476929e+00 2.96 -4.101776872e+00 -4.101776872e+00 2.98 -4.039497874e+00 -4.039497874e+00 3.00 -3.974981223e+00 -3.974981223e+00 3.02 -3.908585014e+00 -3.908585014e+00 3.04 -3.840675174e+00 -3.840675174e+00 3.06 -3.771611600e+00 -3.771611600e+00 3.08 -3.701730042e+00 -3.701730042e+00 3.10 -3.631325699e+00 -3.631325699e+00 3.12 -3.560641498e+00 -3.560641498e+00 3.14 -3.489864647e+00 -3.489864647e+00 3.16 -3.419129997e+00 -3.419129997e+00 3.18 -3.348529318e+00 -3.348529318e+00 3.20 -3.278122200e+00 -3.278122200e+00 3.22 -3.207946582e+00 -3.207946582e+00 3.24 -3.138027430e+00 -3.138027430e+00 3.26 -3.068383201e+00 -3.068383201e+00 3.28 -2.999030339e+00 -2.999030339e+00 3.30 -2.929986250e+00 -2.929986250e+00 3.32 -2.861271249e+00 -2.861271249e+00 3.34 -2.792909814e+00 -2.792909814e+00 3.36 -2.724931427e+00 -2.724931427e+00 3.38 -2.657371186e+00 -2.657371186e+00 3.40 -2.590270330e+00 -2.590270330e+00 3.42 -2.523676969e+00 -2.523676969e+00 3.44 -2.457646641e+00 -2.457646641e+00 3.46 -2.392243232e+00 -2.392243232e+00 3.48 -2.327539554e+00 -2.327539554e+00 3.50 -2.263617337e+00 -2.263617337e+00 3.52 -2.200566072e+00 -2.200566072e+00 3.54 -2.138480245e+00 -2.138480245e+00 3.56 -2.077454818e+00 -2.077454818e+00 3.58 -2.017579326e+00 -2.017579326e+00 3.60 -1.958931536e+00 -1.958931536e+00 3.62 -1.901571912e+00 -1.901571912e+00 3.64 -1.845540080e+00 -1.845540080e+00 3.66 -1.790853995e+00 -1.790853995e+00 3.68 -1.737511832e+00 -1.737511832e+00 3.70 -1.685496009e+00 -1.685496009e+00 3.72 -1.634778382e+00 -1.634778382e+00 3.74 -1.585325640e+00 -1.585325640e+00 3.76 -1.537104069e+00 -1.537104069e+00 3.78 -1.490083183e+00 -1.490083183e+00 3.80 -1.444237968e+00 -1.444237968e+00 3.82 -1.399549716e+00 -1.399549716e+00 3.84 -1.356005609e+00 -1.356005609e+00 3.86 -1.313597328e+00 -1.313597328e+00 3.88 -1.272319042e+00 -1.272319042e+00 3.90 -1.232165160e+00 -1.232165160e+00 3.92 -1.193128161e+00 -1.193128161e+00 3.94 -1.155197085e+00 -1.155197085e+00 3.96 -1.118356081e+00 -1.118356081e+00 3.98 -1.082584144e+00 -1.082584144e+00 4.00 -1.047855136e+00 -1.047855136e+00 4.02 -1.014138320e+00 -1.014138320e+00 4.04 -9.813991823e-01 -9.813991823e-01 4.06 -9.496004172e-01 -9.496004172e-01 4.08 -9.187029386e-01 -9.187029386e-01 4.10 -8.886667521e-01 -8.886667521e-01 4.12 -8.594523511e-01 -8.594523511e-01 4.14 -8.310208146e-01 -8.310208146e-01 4.16 -8.033351235e-01 -8.033351235e-01 4.18 -7.763607517e-01 -7.763607517e-01 4.20 -7.500663442e-01 -7.500663442e-01 4.22 -7.244243246e-01 -7.244243246e-01 4.24 -6.994114066e-01 -6.994114066e-01 4.26 -6.750089726e-01 -6.750089726e-01 4.28 -6.512032852e-01 -6.512032852e-01 4.30 -6.279855083e-01 -6.279855083e-01 4.32 -6.053515279e-01 -6.053515279e-01 4.34 -5.833015798e-01 -5.833015798e-01 4.36 -5.618396990e-01 -5.618396990e-01 4.38 -5.409730060e-01 -5.409730060e-01 4.40 -5.207108396e-01 -5.207108396e-01 4.42 -5.010637480e-01 -5.010637480e-01 4.44 -4.820423544e-01 -4.820423544e-01 4.46 -4.636561424e-01 -4.636561424e-01 4.48 -4.459122300e-01 -4.459122300e-01 4.50 -4.288142309e-01 -4.288142309e-01 4.52 -4.123613106e-01 -4.123613106e-01 4.54 -3.965475317e-01 -3.965475317e-01 4.56 -3.813615513e-01 -3.813615513e-01 4.58 -3.667866875e-01 -3.667866875e-01 4.60 -3.528013258e-01 -3.528013258e-01 4.62 -3.393795988e-01 -3.393795988e-01 4.64 -3.264922544e-01 -3.264922544e-01 4.66 -3.141076223e-01 -3.141076223e-01 4.68 -3.021926012e-01 -3.021926012e-01 4.70 -2.907136105e-01 -2.907136105e-01 4.72 -2.796374687e-01 -2.796374687e-01 4.74 -2.689321867e-01 -2.689321867e-01 4.76 -2.585676737e-01 -2.585676737e-01 4.78 -2.485163639e-01 -2.485163639e-01 4.80 -2.387536907e-01 -2.387536907e-01 4.82 -2.292589205e-01 -2.292589205e-01 4.84 -2.200150271e-01 -2.200150271e-01 4.86 -2.110093919e-01 -2.110093919e-01 4.88 -2.022339036e-01 -2.022339036e-01 4.90 -1.936849983e-01 -1.936849983e-01 4.92 -1.853635020e-01 -1.853635020e-01 4.94 -1.772742458e-01 -1.772742458e-01 4.96 -1.694254418e-01 -1.694254418e-01 4.98 -1.618278325e-01 -1.618278325e-01 5.00 -1.544936565e-01 -1.544936565e-01 5.02 -1.474354999e-01 -1.474354999e-01 5.04 -1.406651280e-01 -1.406651280e-01 5.06 -1.341923918e-01 -1.341923918e-01 5.08 -1.280243129e-01 -1.280243129e-01 5.10 -1.221644170e-01 -1.221644170e-01 5.12 -1.166123602e-01 -1.166123602e-01 5.14 -1.113637917e-01 -1.113637917e-01 5.16 -1.064102434e-01 -1.064102434e-01 5.18 -1.017406445e-01 -1.017406445e-01 5.20 -9.734120972e-02 -9.734120972e-02 5.22 -9.319595583e-02 -9.319595583e-02 5.24 -8.928741846e-02 -8.928741846e-02 5.26 -8.559731503e-02 -8.559731503e-02 5.28 -8.210711833e-02 -8.210711833e-02 5.30 -7.879852157e-02 -7.879852157e-02 5.32 -7.565379113e-02 -7.565379113e-02 5.34 -7.265601440e-02 -7.265601440e-02 5.36 -6.978925711e-02 -6.978925711e-02 5.38 -6.703864804e-02 -6.703864804e-02 5.40 -6.439040966e-02 -6.439040966e-02 5.42 -6.183185254e-02 -6.183185254e-02 5.44 -5.935134911e-02 -5.935134911e-02 5.46 -5.693829988e-02 -5.693829988e-02 5.48 -5.458310272e-02 -5.458310272e-02 5.50 -5.227713320e-02 -5.227713320e-02 5.52 -5.001274145e-02 -5.001274145e-02 5.54 -4.778326891e-02 -4.778326891e-02 5.56 -4.558308571e-02 -4.558308571e-02 5.58 -4.340764716e-02 -4.340764716e-02 5.60 -4.125356533e-02 -4.125356533e-02 5.62 -3.911868860e-02 -3.911868860e-02 5.64 -3.700217999e-02 -3.700217999e-02 5.66 -3.490458206e-02 -3.490458206e-02 5.68 -3.282785476e-02 -3.282785476e-02 5.70 -3.077537175e-02 -3.077537175e-02 5.72 -2.875186177e-02 -2.875186177e-02 5.74 -2.676328438e-02 -2.676328438e-02 5.76 -2.481663456e-02 -2.481663456e-02 5.78 -2.291967782e-02 -2.291967782e-02 5.80 -2.108062411e-02 -2.108062411e-02 5.82 -1.930775968e-02 -1.930775968e-02 5.84 -1.760906075e-02 -1.760906075e-02 5.86 -1.599181703e-02 -1.599181703e-02 5.88 -1.446229456e-02 -1.446229456e-02 5.90 -1.302546338e-02 -1.302546338e-02 5.92 -1.168473564e-02 -1.168473564e-02 5.94 -1.044184515e-02 -1.044184515e-02 5.96 -9.297240632e-03 -9.297240632e-03 5.98 -8.249851603e-03 -8.249851603e-03 6.00 -7.297222854e-03 -7.297222854e-03