# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = TaWZr2 # 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 2025-12-17 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 3.263187848e+02 3.263187848e+02 1.08 3.031374402e+02 3.031374402e+02 1.10 2.815073751e+02 2.815073751e+02 1.12 2.618105802e+02 2.618105802e+02 1.14 2.430695259e+02 2.430695259e+02 1.16 2.258054535e+02 2.258054535e+02 1.18 2.105128313e+02 2.105128313e+02 1.20 1.960216015e+02 1.960216015e+02 1.22 1.822236186e+02 1.822236186e+02 1.24 1.695418046e+02 1.695418046e+02 1.26 1.577771831e+02 1.577771831e+02 1.28 1.466791334e+02 1.466791334e+02 1.30 1.365793320e+02 1.365793320e+02 1.32 1.276070645e+02 1.276070645e+02 1.34 1.195492338e+02 1.195492338e+02 1.36 1.119592779e+02 1.119592779e+02 1.38 1.049758161e+02 1.049758161e+02 1.40 9.840910400e+01 9.840910400e+01 1.42 9.218400072e+01 9.218400072e+01 1.44 8.637828520e+01 8.637828520e+01 1.46 8.080308832e+01 8.080308832e+01 1.48 7.552786625e+01 7.552786625e+01 1.50 7.038451252e+01 7.038451252e+01 1.52 6.534212573e+01 6.534212573e+01 1.54 6.068126606e+01 6.068126606e+01 1.56 5.642937119e+01 5.642937119e+01 1.58 5.244053424e+01 5.244053424e+01 1.60 4.862401035e+01 4.862401035e+01 1.62 4.507222589e+01 4.507222589e+01 1.64 4.178657570e+01 4.178657570e+01 1.66 3.867321029e+01 3.867321029e+01 1.68 3.568446882e+01 3.568446882e+01 1.70 3.291516177e+01 3.291516177e+01 1.72 3.044936149e+01 3.044936149e+01 1.74 2.817709649e+01 2.817709649e+01 1.76 2.598980822e+01 2.598980822e+01 1.78 2.396462392e+01 2.396462392e+01 1.80 2.214750969e+01 2.214750969e+01 1.82 2.041401940e+01 2.041401940e+01 1.84 1.882426409e+01 1.882426409e+01 1.86 1.734399902e+01 1.734399902e+01 1.88 1.597238871e+01 1.597238871e+01 1.90 1.469079594e+01 1.469079594e+01 1.92 1.347005191e+01 1.347005191e+01 1.94 1.241561173e+01 1.241561173e+01 1.96 1.151246487e+01 1.151246487e+01 1.98 1.063515200e+01 1.063515200e+01 2.00 9.691233627e+00 9.691233627e+00 2.02 8.759522331e+00 8.759522331e+00 2.04 7.957320520e+00 7.957320520e+00 2.06 7.313750039e+00 7.313750039e+00 2.08 6.773506050e+00 6.773506050e+00 2.10 6.314793477e+00 6.314793477e+00 2.12 5.893114416e+00 5.893114416e+00 2.14 5.389340545e+00 5.389340545e+00 2.16 4.837612990e+00 4.837612990e+00 2.18 4.266771396e+00 4.266771396e+00 2.20 3.711096309e+00 3.711096309e+00 2.22 3.139385856e+00 3.139385856e+00 2.24 2.610188551e+00 2.610188551e+00 2.26 2.104766326e+00 2.104766326e+00 2.28 1.610105925e+00 1.610105925e+00 2.30 1.132186491e+00 1.132186491e+00 2.32 6.819953276e-01 6.819953276e-01 2.34 8.199436895e-02 8.199436895e-02 2.36 -7.020958243e-01 -7.020958243e-01 2.38 -1.449385468e+00 -1.449385468e+00 2.40 -2.113531004e+00 -2.113531004e+00 2.42 -2.643338728e+00 -2.643338728e+00 2.44 -3.105808917e+00 -3.105808917e+00 2.46 -3.519718470e+00 -3.519718470e+00 2.48 -3.917099182e+00 -3.917099182e+00 2.50 -4.289845173e+00 -4.289845173e+00 2.52 -4.631284792e+00 -4.631284792e+00 2.54 -4.923824429e+00 -4.923824429e+00 2.56 -5.178714255e+00 -5.178714255e+00 2.58 -5.412673364e+00 -5.412673364e+00 2.60 -5.634292259e+00 -5.634292259e+00 2.62 -5.854868551e+00 -5.854868551e+00 2.64 -6.069909146e+00 -6.069909146e+00 2.66 -6.270307251e+00 -6.270307251e+00 2.68 -6.448539949e+00 -6.448539949e+00 2.70 -6.602214766e+00 -6.602214766e+00 2.72 -6.737471250e+00 -6.737471250e+00 2.74 -6.853971506e+00 -6.853971506e+00 2.76 -6.947558366e+00 -6.947558366e+00 2.78 -7.028780789e+00 -7.028780789e+00 2.80 -7.100254900e+00 -7.100254900e+00 2.82 -7.168087696e+00 -7.168087696e+00 2.84 -7.233993770e+00 -7.233993770e+00 2.86 -7.286059792e+00 -7.286059792e+00 2.88 -7.319894368e+00 -7.319894368e+00 2.90 -7.342666603e+00 -7.342666603e+00 2.92 -7.354405761e+00 -7.354405761e+00 2.94 -7.351944494e+00 -7.351944494e+00 2.96 -7.343310550e+00 -7.343310550e+00 2.98 -7.340251475e+00 -7.340251475e+00 3.00 -7.337159217e+00 -7.337159217e+00 3.02 -7.321796916e+00 -7.321796916e+00 3.04 -7.291091927e+00 -7.291091927e+00 3.06 -7.249566586e+00 -7.249566586e+00 3.08 -7.202553939e+00 -7.202553939e+00 3.10 -7.153073024e+00 -7.153073024e+00 3.12 -7.103974785e+00 -7.103974785e+00 3.14 -7.055218105e+00 -7.055218105e+00 3.16 -7.004089213e+00 -7.004089213e+00 3.18 -6.942216262e+00 -6.942216262e+00 3.20 -6.861716947e+00 -6.861716947e+00 3.22 -6.785681604e+00 -6.785681604e+00 3.24 -6.724963160e+00 -6.724963160e+00 3.26 -6.674226712e+00 -6.674226712e+00 3.28 -6.621954085e+00 -6.621954085e+00 3.30 -6.567285760e+00 -6.567285760e+00 3.32 -6.507562926e+00 -6.507562926e+00 3.34 -6.443976332e+00 -6.443976332e+00 3.36 -6.378040831e+00 -6.378040831e+00 3.38 -6.306715625e+00 -6.306715625e+00 3.40 -6.231056741e+00 -6.231056741e+00 3.42 -6.152013420e+00 -6.152013420e+00 3.44 -6.070011450e+00 -6.070011450e+00 3.46 -5.989240168e+00 -5.989240168e+00 3.48 -5.912109815e+00 -5.912109815e+00 3.50 -5.841930866e+00 -5.841930866e+00 3.52 -5.774101280e+00 -5.774101280e+00 3.54 -5.715280625e+00 -5.715280625e+00 3.56 -5.663849858e+00 -5.663849858e+00 3.58 -5.617508303e+00 -5.617508303e+00 3.60 -5.580925335e+00 -5.580925335e+00 3.62 -5.542495102e+00 -5.542495102e+00 3.64 -5.497601201e+00 -5.497601201e+00 3.66 -5.445263113e+00 -5.445263113e+00 3.68 -5.386963886e+00 -5.386963886e+00 3.70 -5.326517749e+00 -5.326517749e+00 3.72 -5.268113189e+00 -5.268113189e+00 3.74 -5.214121189e+00 -5.214121189e+00 3.76 -5.162003327e+00 -5.162003327e+00 3.78 -5.104136423e+00 -5.104136423e+00 3.80 -5.028665769e+00 -5.028665769e+00 3.82 -4.935278857e+00 -4.935278857e+00 3.84 -4.847519012e+00 -4.847519012e+00 3.86 -4.762110063e+00 -4.762110063e+00 3.88 -4.645716848e+00 -4.645716848e+00 3.90 -4.473572201e+00 -4.473572201e+00 3.92 -4.243005699e+00 -4.243005699e+00 3.94 -3.993920807e+00 -3.993920807e+00 3.96 -3.754895577e+00 -3.754895577e+00 3.98 -3.524263904e+00 -3.524263904e+00 4.00 -3.298104154e+00 -3.298104154e+00 4.02 -3.090778293e+00 -3.090778293e+00 4.04 -2.923338305e+00 -2.923338305e+00 4.06 -2.804350319e+00 -2.804350319e+00 4.08 -2.714967117e+00 -2.714967117e+00 4.10 -2.633518767e+00 -2.633518767e+00 4.12 -2.549019281e+00 -2.549019281e+00 4.14 -2.465165333e+00 -2.465165333e+00 4.16 -2.386115505e+00 -2.386115505e+00 4.18 -2.314565848e+00 -2.314565848e+00 4.20 -2.251121031e+00 -2.251121031e+00 4.22 -2.195377825e+00 -2.195377825e+00 4.24 -2.146350671e+00 -2.146350671e+00 4.26 -2.102613347e+00 -2.102613347e+00 4.28 -2.062835840e+00 -2.062835840e+00 4.30 -2.025737553e+00 -2.025737553e+00 4.32 -1.990040600e+00 -1.990040600e+00 4.34 -1.954607967e+00 -1.954607967e+00 4.36 -1.919245978e+00 -1.919245978e+00 4.38 -1.884125612e+00 -1.884125612e+00 4.40 -1.849439490e+00 -1.849439490e+00 4.42 -1.815536404e+00 -1.815536404e+00 4.44 -1.782948939e+00 -1.782948939e+00 4.46 -1.752161659e+00 -1.752161659e+00 4.48 -1.723159552e+00 -1.723159552e+00 4.50 -1.695761422e+00 -1.695761422e+00 4.52 -1.669750014e+00 -1.669750014e+00 4.54 -1.644856667e+00 -1.644856667e+00 4.56 -1.620756402e+00 -1.620756402e+00 4.58 -1.597028195e+00 -1.597028195e+00 4.60 -1.573202970e+00 -1.573202970e+00 4.62 -1.548967739e+00 -1.548967739e+00 4.64 -1.524162375e+00 -1.524162375e+00 4.66 -1.498653667e+00 -1.498653667e+00 4.68 -1.472348678e+00 -1.472348678e+00 4.70 -1.445387819e+00 -1.445387819e+00 4.72 -1.418200636e+00 -1.418200636e+00 4.74 -1.391326311e+00 -1.391326311e+00 4.76 -1.365195746e+00 -1.365195746e+00 4.78 -1.340313964e+00 -1.340313964e+00 4.80 -1.317179377e+00 -1.317179377e+00 4.82 -1.295522664e+00 -1.295522664e+00 4.84 -1.274455734e+00 -1.274455734e+00 4.86 -1.252988696e+00 -1.252988696e+00 4.88 -1.230089623e+00 -1.230089623e+00 4.90 -1.204893894e+00 -1.204893894e+00 4.92 -1.176785856e+00 -1.176785856e+00 4.94 -1.146657177e+00 -1.146657177e+00 4.96 -1.116158954e+00 -1.116158954e+00 4.98 -1.086960370e+00 -1.086960370e+00 5.00 -1.060718407e+00 -1.060718407e+00 5.02 -1.039054933e+00 -1.039054933e+00 5.04 -1.022772828e+00 -1.022772828e+00 5.06 -1.010211058e+00 -1.010211058e+00 5.08 -9.990135781e-01 -9.990135781e-01 5.10 -9.868136208e-01 -9.868136208e-01 5.12 -9.712340935e-01 -9.712340935e-01 5.14 -9.499207300e-01 -9.499207300e-01 5.16 -9.218269673e-01 -9.218269673e-01 5.18 -8.884213105e-01 -8.884213105e-01 5.20 -8.514834367e-01 -8.514834367e-01 5.22 -8.127085416e-01 -8.127085416e-01 5.24 -7.737400847e-01 -7.737400847e-01 5.26 -7.362418851e-01 -7.362418851e-01 5.28 -7.019325989e-01 -7.019325989e-01 5.30 -6.717814370e-01 -6.717814370e-01 5.32 -6.463829007e-01 -6.463829007e-01 5.34 -6.260248128e-01 -6.260248128e-01 5.36 -6.107179492e-01 -6.107179492e-01 5.38 -5.994123136e-01 -5.994123136e-01 5.40 -5.888290660e-01 -5.888290660e-01 5.42 -5.786112623e-01 -5.786112623e-01 5.44 -5.686520788e-01 -5.686520788e-01 5.46 -5.588368480e-01 -5.588368480e-01 5.48 -5.490561372e-01 -5.490561372e-01 5.50 -5.392120943e-01 -5.392120943e-01 5.52 -5.292188918e-01 -5.292188918e-01 5.54 -5.189944893e-01 -5.189944893e-01 5.56 -5.084551008e-01 -5.084551008e-01 5.58 -4.976140115e-01 -4.976140115e-01 5.60 -4.864778471e-01 -4.864778471e-01 5.62 -4.750219709e-01 -4.750219709e-01 5.64 -4.632039499e-01 -4.632039499e-01 5.66 -4.509601307e-01 -4.509601307e-01 5.68 -4.382707442e-01 -4.382707442e-01 5.70 -4.252507860e-01 -4.252507860e-01 5.72 -4.119745838e-01 -4.119745838e-01 5.74 -3.985050729e-01 -3.985050729e-01 5.76 -3.848831051e-01 -3.848831051e-01 5.78 -3.711208359e-01 -3.711208359e-01 5.80 -3.571506093e-01 -3.571506093e-01 5.82 -3.426736703e-01 -3.426736703e-01 5.84 -3.271619293e-01 -3.271619293e-01 5.86 -3.104223880e-01 -3.104223880e-01 5.88 -2.926108120e-01 -2.926108120e-01 5.90 -2.745680481e-01 -2.745680481e-01 5.92 -2.571734109e-01 -2.571734109e-01 5.94 -2.403140089e-01 -2.403140089e-01 5.96 -2.238321419e-01 -2.238321419e-01 5.98 -2.072569691e-01 -2.072569691e-01 6.00 -1.900803379e-01 -1.900803379e-01