# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = CoNi2Ti # 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 2024-03-01 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 -2.259344503e+02 -2.259344503e+02 1.04 -2.125981893e+02 -2.125981893e+02 1.06 -2.005075042e+02 -2.005075042e+02 1.08 -1.895045822e+02 -1.895045822e+02 1.10 -1.795384452e+02 -1.795384452e+02 1.12 -1.704534485e+02 -1.704534485e+02 1.14 -1.622020824e+02 -1.622020824e+02 1.16 -1.549444307e+02 -1.549444307e+02 1.18 -1.486305963e+02 -1.486305963e+02 1.20 -1.429290156e+02 -1.429290156e+02 1.22 -1.376223249e+02 -1.376223249e+02 1.24 -1.326394393e+02 -1.326394393e+02 1.26 -1.278348222e+02 -1.278348222e+02 1.28 -1.230723179e+02 -1.230723179e+02 1.30 -1.183938012e+02 -1.183938012e+02 1.32 -1.139651993e+02 -1.139651993e+02 1.34 -1.097909621e+02 -1.097909621e+02 1.36 -1.057241501e+02 -1.057241501e+02 1.38 -1.016765130e+02 -1.016765130e+02 1.40 -9.769372782e+01 -9.769372782e+01 1.42 -9.385791694e+01 -9.385791694e+01 1.44 -9.017997480e+01 -9.017997480e+01 1.46 -8.652716823e+01 -8.652716823e+01 1.48 -8.270522019e+01 -8.270522019e+01 1.50 -7.858800609e+01 -7.858800609e+01 1.52 -7.416944108e+01 -7.416944108e+01 1.54 -6.957071727e+01 -6.957071727e+01 1.56 -6.494849350e+01 -6.494849350e+01 1.58 -6.043288952e+01 -6.043288952e+01 1.60 -5.608422259e+01 -5.608422259e+01 1.62 -5.189232366e+01 -5.189232366e+01 1.64 -4.781073455e+01 -4.781073455e+01 1.66 -4.380899481e+01 -4.380899481e+01 1.68 -3.987995464e+01 -3.987995464e+01 1.70 -3.604360467e+01 -3.604360467e+01 1.72 -3.233587251e+01 -3.233587251e+01 1.74 -2.879707153e+01 -2.879707153e+01 1.76 -2.547228834e+01 -2.547228834e+01 1.78 -2.238698090e+01 -2.238698090e+01 1.80 -1.954861945e+01 -1.954861945e+01 1.82 -1.696002610e+01 -1.696002610e+01 1.84 -1.461871207e+01 -1.461871207e+01 1.86 -1.250744405e+01 -1.250744405e+01 1.88 -1.058820419e+01 -1.058820419e+01 1.90 -8.828376824e+00 -8.828376824e+00 1.92 -7.269572366e+00 -7.269572366e+00 1.94 -5.848965879e+00 -5.848965879e+00 1.96 -4.558485282e+00 -4.558485282e+00 1.98 -3.567564140e+00 -3.567564140e+00 2.00 -2.866219150e+00 -2.866219150e+00 2.02 -2.399684532e+00 -2.399684532e+00 2.04 -2.122364926e+00 -2.122364926e+00 2.06 -1.996649070e+00 -1.996649070e+00 2.08 -1.992078264e+00 -1.992078264e+00 2.10 -2.083027482e+00 -2.083027482e+00 2.12 -2.246222766e+00 -2.246222766e+00 2.14 -2.458722188e+00 -2.458722188e+00 2.16 -2.697540304e+00 -2.697540304e+00 2.18 -2.941849559e+00 -2.941849559e+00 2.20 -3.173252815e+00 -3.173252815e+00 2.22 -3.379255970e+00 -3.379255970e+00 2.24 -3.554536992e+00 -3.554536992e+00 2.26 -3.696818374e+00 -3.696818374e+00 2.28 -3.807806295e+00 -3.807806295e+00 2.30 -3.892457013e+00 -3.892457013e+00 2.32 -3.958030245e+00 -3.958030245e+00 2.34 -4.011976718e+00 -4.011976718e+00 2.36 -4.058697318e+00 -4.058697318e+00 2.38 -4.101445622e+00 -4.101445622e+00 2.40 -4.143543678e+00 -4.143543678e+00 2.42 -4.185671226e+00 -4.185671226e+00 2.44 -4.225802632e+00 -4.225802632e+00 2.46 -4.261890512e+00 -4.261890512e+00 2.48 -4.292349603e+00 -4.292349603e+00 2.50 -4.315897832e+00 -4.315897832e+00 2.52 -4.331036637e+00 -4.331036637e+00 2.54 -4.337882778e+00 -4.337882778e+00 2.56 -4.337174593e+00 -4.337174593e+00 2.58 -4.329676982e+00 -4.329676982e+00 2.60 -4.316294718e+00 -4.316294718e+00 2.62 -4.297869606e+00 -4.297869606e+00 2.64 -4.275054915e+00 -4.275054915e+00 2.66 -4.248270638e+00 -4.248270638e+00 2.68 -4.217563591e+00 -4.217563591e+00 2.70 -4.182720831e+00 -4.182720831e+00 2.72 -4.143424992e+00 -4.143424992e+00 2.74 -4.099743180e+00 -4.099743180e+00 2.76 -4.052066717e+00 -4.052066717e+00 2.78 -4.000992092e+00 -4.000992092e+00 2.80 -3.947192522e+00 -3.947192522e+00 2.82 -3.891237826e+00 -3.891237826e+00 2.84 -3.833648214e+00 -3.833648214e+00 2.86 -3.774687535e+00 -3.774687535e+00 2.88 -3.714231934e+00 -3.714231934e+00 2.90 -3.651972869e+00 -3.651972869e+00 2.92 -3.587835118e+00 -3.587835118e+00 2.94 -3.521657230e+00 -3.521657230e+00 2.96 -3.453326230e+00 -3.453326230e+00 2.98 -3.382971421e+00 -3.382971421e+00 3.00 -3.310971493e+00 -3.310971493e+00 3.02 -3.237900813e+00 -3.237900813e+00 3.04 -3.164448930e+00 -3.164448930e+00 3.06 -3.091166284e+00 -3.091166284e+00 3.08 -3.018166204e+00 -3.018166204e+00 3.10 -2.945298080e+00 -2.945298080e+00 3.12 -2.872347126e+00 -2.872347126e+00 3.14 -2.799159762e+00 -2.799159762e+00 3.16 -2.725643345e+00 -2.725643345e+00 3.18 -2.651768336e+00 -2.651768336e+00 3.20 -2.577606685e+00 -2.577606685e+00 3.22 -2.503223213e+00 -2.503223213e+00 3.24 -2.428693693e+00 -2.428693693e+00 3.26 -2.354181936e+00 -2.354181936e+00 3.28 -2.279926431e+00 -2.279926431e+00 3.30 -2.206129924e+00 -2.206129924e+00 3.32 -2.132989540e+00 -2.132989540e+00 3.34 -2.060649627e+00 -2.060649627e+00 3.36 -1.989142761e+00 -1.989142761e+00 3.38 -1.918388322e+00 -1.918388322e+00 3.40 -1.848328795e+00 -1.848328795e+00 3.42 -1.778951326e+00 -1.778951326e+00 3.44 -1.710223741e+00 -1.710223741e+00 3.46 -1.642133723e+00 -1.642133723e+00 3.48 -1.574727082e+00 -1.574727082e+00 3.50 -1.508131284e+00 -1.508131284e+00 3.52 -1.442531810e+00 -1.442531810e+00 3.54 -1.378134644e+00 -1.378134644e+00 3.56 -1.315156945e+00 -1.315156945e+00 3.58 -1.253792119e+00 -1.253792119e+00 3.60 -1.194177027e+00 -1.194177027e+00 3.62 -1.136428462e+00 -1.136428462e+00 3.64 -1.080653316e+00 -1.080653316e+00 3.66 -1.026976306e+00 -1.026976306e+00 3.68 -9.755188252e-01 -9.755188252e-01 3.70 -9.263856739e-01 -9.263856739e-01 3.72 -8.796263256e-01 -8.796263256e-01 3.74 -8.352126767e-01 -8.352126767e-01 3.76 -7.930906159e-01 -7.930906159e-01 3.78 -7.531884790e-01 -7.531884790e-01 3.80 -7.154184943e-01 -7.154184943e-01 3.82 -6.796783864e-01 -6.796783864e-01 3.84 -6.458530987e-01 -6.458530987e-01 3.86 -6.138214515e-01 -6.138214515e-01 3.88 -5.835000933e-01 -5.835000933e-01 3.90 -5.548223650e-01 -5.548223650e-01 3.92 -5.277152004e-01 -5.277152004e-01 3.94 -5.021028873e-01 -5.021028873e-01 3.96 -4.779113850e-01 -4.779113850e-01 3.98 -4.550632171e-01 -4.550632171e-01 4.00 -4.334768541e-01 -4.334768541e-01 4.02 -4.130730863e-01 -4.130730863e-01 4.04 -3.937844253e-01 -3.937844253e-01 4.06 -3.755437293e-01 -3.755437293e-01 4.08 -3.582873292e-01 -3.582873292e-01 4.10 -3.419569972e-01 -3.419569972e-01 4.12 -3.264935163e-01 -3.264935163e-01 4.14 -3.118259668e-01 -3.118259668e-01 4.16 -2.978653855e-01 -2.978653855e-01 4.18 -2.845209542e-01 -2.845209542e-01 4.20 -2.717087214e-01 -2.717087214e-01 4.22 -2.593819705e-01 -2.593819705e-01 4.24 -2.475068327e-01 -2.475068327e-01 4.26 -2.360499956e-01 -2.360499956e-01 4.28 -2.249755831e-01 -2.249755831e-01 4.30 -2.142352278e-01 -2.142352278e-01 4.32 -2.037790401e-01 -2.037790401e-01 4.34 -1.935602581e-01 -1.935602581e-01 4.36 -1.835568362e-01 -1.835568362e-01 4.38 -1.737728664e-01 -1.737728664e-01 4.40 -1.642151659e-01 -1.642151659e-01 4.42 -1.548925729e-01 -1.548925729e-01 4.44 -1.458159947e-01 -1.458159947e-01 4.46 -1.369990142e-01 -1.369990142e-01 4.48 -1.284581127e-01 -1.284581127e-01 4.50 -1.202137068e-01 -1.202137068e-01 4.52 -1.122873080e-01 -1.122873080e-01 4.54 -1.046820692e-01 -1.046820692e-01 4.56 -9.739680957e-02 -9.739680957e-02 4.58 -9.043746331e-02 -9.043746331e-02 4.60 -8.381785500e-02 -8.381785500e-02 4.62 -7.755906764e-02 -7.755906764e-02 4.64 -7.168793477e-02 -7.168793477e-02 4.66 -6.623370290e-02 -6.623370290e-02 4.68 -6.122404278e-02 -6.122404278e-02 4.70 -5.668211464e-02 -5.668211464e-02 4.72 -5.262682544e-02 -5.262682544e-02 4.74 -4.906286807e-02 -4.906286807e-02 4.76 -4.597723327e-02 -4.597723327e-02 4.78 -4.332619450e-02 -4.332619450e-02 4.80 -4.104649525e-02 -4.104649525e-02 4.82 -3.908525040e-02 -3.908525040e-02 4.84 -3.738801918e-02 -3.738801918e-02 4.86 -3.589970094e-02 -3.589970094e-02 4.88 -3.456860109e-02 -3.456860109e-02 4.90 -3.334865179e-02 -3.334865179e-02 4.92 -3.220057432e-02 -3.220057432e-02 4.94 -3.109247504e-02 -3.109247504e-02 4.96 -2.999900604e-02 -2.999900604e-02 4.98 -2.890074162e-02 -2.890074162e-02 5.00 -2.778318331e-02 -2.778318331e-02 5.02 -2.663698890e-02 -2.663698890e-02 5.04 -2.546237015e-02 -2.546237015e-02 5.06 -2.425474569e-02 -2.425474569e-02 5.08 -2.300526164e-02 -2.300526164e-02 5.10 -2.170586768e-02 -2.170586768e-02 5.12 -2.034988122e-02 -2.034988122e-02 5.14 -1.893270538e-02 -1.893270538e-02 5.16 -1.745210743e-02 -1.745210743e-02 5.18 -1.590916841e-02 -1.590916841e-02 5.20 -1.430875075e-02 -1.430875075e-02 5.22 -1.265811012e-02 -1.265811012e-02 5.24 -1.096496814e-02 -1.096496814e-02 5.26 -9.242398643e-03 -9.242398643e-03 5.28 -7.510014162e-03 -7.510014162e-03 5.30 -5.793550536e-03 -5.793550536e-03 5.32 -4.124211324e-03 -4.124211324e-03 5.34 -2.537606627e-03 -2.537606627e-03 5.36 -1.071346317e-03 -1.071346317e-03 5.38 2.375064062e-04 2.375064062e-04 5.40 1.355760133e-03 1.355760133e-03 5.42 2.257369256e-03 2.257369256e-03 5.44 2.927129106e-03 2.927129106e-03 5.46 3.362910620e-03 3.362910620e-03 5.48 3.576904495e-03 3.576904495e-03 5.50 3.595525677e-03 3.595525677e-03 5.52 3.458192323e-03 3.458192323e-03 5.54 3.205977113e-03 3.205977113e-03 5.56 2.867376932e-03 2.867376932e-03 5.58 2.472027291e-03 2.472027291e-03 5.60 2.050378376e-03 2.050378376e-03 5.62 1.630740015e-03 1.630740015e-03 5.64 1.237052159e-03 1.237052159e-03 5.66 8.879531381e-04 8.879531381e-04 5.68 5.956695586e-04 5.956695586e-04 5.70 3.662073775e-04 3.662073775e-04 5.72 1.996288740e-04 1.996288740e-04 5.74 9.078174465e-05 9.078174465e-05 5.76 3.025725648e-05 3.025725648e-05 5.78 5.063704647e-06 5.063704647e-06 5.80 7.801644971e-09 7.790792714e-09 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00