# 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 = TaTiW2 # 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 4.214121890e+02 4.214121890e+02 1.08 3.851235379e+02 3.851235379e+02 1.10 3.535003239e+02 3.535003239e+02 1.12 3.252680871e+02 3.252680871e+02 1.14 2.991927761e+02 2.991927761e+02 1.16 2.751337500e+02 2.751337500e+02 1.18 2.534844991e+02 2.534844991e+02 1.20 2.337217151e+02 2.337217151e+02 1.22 2.152630602e+02 2.152630602e+02 1.24 1.978835824e+02 1.978835824e+02 1.26 1.818049345e+02 1.818049345e+02 1.28 1.670491854e+02 1.670491854e+02 1.30 1.536147916e+02 1.536147916e+02 1.32 1.412759416e+02 1.412759416e+02 1.34 1.298754521e+02 1.298754521e+02 1.36 1.193279637e+02 1.193279637e+02 1.38 1.098081901e+02 1.098081901e+02 1.40 1.010765920e+02 1.010765920e+02 1.42 9.294649227e+01 9.294649227e+01 1.44 8.548686005e+01 8.548686005e+01 1.46 7.874725610e+01 7.874725610e+01 1.48 7.273327292e+01 7.273327292e+01 1.50 6.724501596e+01 6.724501596e+01 1.52 6.203623866e+01 6.203623866e+01 1.54 5.706205739e+01 5.706205739e+01 1.56 5.242110221e+01 5.242110221e+01 1.58 4.816809867e+01 4.816809867e+01 1.60 4.427523145e+01 4.427523145e+01 1.62 4.072217331e+01 4.072217331e+01 1.64 3.746456176e+01 3.746456176e+01 1.66 3.445045045e+01 3.445045045e+01 1.68 3.160894860e+01 3.160894860e+01 1.70 2.894540539e+01 2.894540539e+01 1.72 2.648904407e+01 2.648904407e+01 1.74 2.411426865e+01 2.411426865e+01 1.76 2.190613933e+01 2.190613933e+01 1.78 1.984129669e+01 1.984129669e+01 1.80 1.791920431e+01 1.791920431e+01 1.82 1.614040550e+01 1.614040550e+01 1.84 1.452175982e+01 1.452175982e+01 1.86 1.308094637e+01 1.308094637e+01 1.88 1.182129209e+01 1.182129209e+01 1.90 1.073578602e+01 1.073578602e+01 1.92 9.828760826e+00 9.828760826e+00 1.94 9.080093277e+00 9.080093277e+00 1.96 8.396278763e+00 8.396278763e+00 1.98 7.678804353e+00 7.678804353e+00 2.00 6.871776607e+00 6.871776607e+00 2.02 6.062321972e+00 6.062321972e+00 2.04 5.293766086e+00 5.293766086e+00 2.06 4.575029466e+00 4.575029466e+00 2.08 3.885634824e+00 3.885634824e+00 2.10 3.212194659e+00 3.212194659e+00 2.12 2.553501032e+00 2.553501032e+00 2.14 1.910007200e+00 1.910007200e+00 2.16 1.307335262e+00 1.307335262e+00 2.18 7.755635776e-01 7.755635776e-01 2.20 2.177878308e-01 2.177878308e-01 2.22 -2.841842883e-01 -2.841842883e-01 2.24 -7.170458019e-01 -7.170458019e-01 2.26 -1.075377326e+00 -1.075377326e+00 2.28 -1.354449596e+00 -1.354449596e+00 2.30 -1.569793277e+00 -1.569793277e+00 2.32 -2.011810469e+00 -2.011810469e+00 2.34 -2.615962009e+00 -2.615962009e+00 2.36 -3.203887388e+00 -3.203887388e+00 2.38 -3.832400917e+00 -3.832400917e+00 2.40 -4.408573095e+00 -4.408573095e+00 2.42 -4.882925870e+00 -4.882925870e+00 2.44 -5.271133610e+00 -5.271133610e+00 2.46 -5.606941743e+00 -5.606941743e+00 2.48 -5.914637070e+00 -5.914637070e+00 2.50 -6.201094945e+00 -6.201094945e+00 2.52 -6.461910690e+00 -6.461910690e+00 2.54 -6.693420203e+00 -6.693420203e+00 2.56 -6.898140304e+00 -6.898140304e+00 2.58 -7.071643618e+00 -7.071643618e+00 2.60 -7.203584690e+00 -7.203584690e+00 2.62 -7.321524650e+00 -7.321524650e+00 2.64 -7.419520790e+00 -7.419520790e+00 2.66 -7.496171931e+00 -7.496171931e+00 2.68 -7.555273124e+00 -7.555273124e+00 2.70 -7.598569678e+00 -7.598569678e+00 2.72 -7.633006817e+00 -7.633006817e+00 2.74 -7.657706335e+00 -7.657706335e+00 2.76 -7.671428425e+00 -7.671428425e+00 2.78 -7.676983272e+00 -7.676983272e+00 2.80 -7.674757294e+00 -7.674757294e+00 2.82 -7.664382728e+00 -7.664382728e+00 2.84 -7.644811934e+00 -7.644811934e+00 2.86 -7.613799365e+00 -7.613799365e+00 2.88 -7.570863951e+00 -7.570863951e+00 2.90 -7.516133061e+00 -7.516133061e+00 2.92 -7.451927330e+00 -7.451927330e+00 2.94 -7.378499591e+00 -7.378499591e+00 2.96 -7.292806715e+00 -7.292806715e+00 2.98 -7.193970320e+00 -7.193970320e+00 3.00 -7.085958549e+00 -7.085958549e+00 3.02 -6.977426514e+00 -6.977426514e+00 3.04 -6.879765015e+00 -6.879765015e+00 3.06 -6.795070228e+00 -6.795070228e+00 3.08 -6.718086671e+00 -6.718086671e+00 3.10 -6.641306540e+00 -6.641306540e+00 3.12 -6.553161416e+00 -6.553161416e+00 3.14 -6.453629980e+00 -6.453629980e+00 3.16 -6.353628738e+00 -6.353628738e+00 3.18 -6.272356201e+00 -6.272356201e+00 3.20 -6.214596163e+00 -6.214596163e+00 3.22 -6.172056052e+00 -6.172056052e+00 3.24 -6.133758038e+00 -6.133758038e+00 3.26 -6.099851498e+00 -6.099851498e+00 3.28 -6.065844197e+00 -6.065844197e+00 3.30 -6.013698550e+00 -6.013698550e+00 3.32 -5.912225211e+00 -5.912225211e+00 3.34 -5.818994464e+00 -5.818994464e+00 3.36 -5.724927135e+00 -5.724927135e+00 3.38 -5.654935629e+00 -5.654935629e+00 3.40 -5.594623159e+00 -5.594623159e+00 3.42 -5.507116593e+00 -5.507116593e+00 3.44 -5.371221778e+00 -5.371221778e+00 3.46 -5.243044621e+00 -5.243044621e+00 3.48 -5.114670103e+00 -5.114670103e+00 3.50 -4.985744106e+00 -4.985744106e+00 3.52 -4.862046522e+00 -4.862046522e+00 3.54 -4.752871231e+00 -4.752871231e+00 3.56 -4.669839968e+00 -4.669839968e+00 3.58 -4.613065968e+00 -4.613065968e+00 3.60 -4.569905859e+00 -4.569905859e+00 3.62 -4.526466295e+00 -4.526466295e+00 3.64 -4.468469620e+00 -4.468469620e+00 3.66 -4.390156017e+00 -4.390156017e+00 3.68 -4.300257201e+00 -4.300257201e+00 3.70 -4.210100266e+00 -4.210100266e+00 3.72 -4.131754873e+00 -4.131754873e+00 3.74 -4.071873613e+00 -4.071873613e+00 3.76 -4.025533539e+00 -4.025533539e+00 3.78 -3.985718078e+00 -3.985718078e+00 3.80 -3.946041632e+00 -3.946041632e+00 3.82 -3.888212271e+00 -3.888212271e+00 3.84 -3.802735957e+00 -3.802735957e+00 3.86 -3.696306542e+00 -3.696306542e+00 3.88 -3.571184445e+00 -3.571184445e+00 3.90 -3.453642352e+00 -3.453642352e+00 3.92 -3.309159758e+00 -3.309159758e+00 3.94 -3.156394214e+00 -3.156394214e+00 3.96 -3.039659576e+00 -3.039659576e+00 3.98 -2.934321119e+00 -2.934321119e+00 4.00 -2.836082908e+00 -2.836082908e+00 4.02 -2.752461239e+00 -2.752461239e+00 4.04 -2.681969554e+00 -2.681969554e+00 4.06 -2.617166172e+00 -2.617166172e+00 4.08 -2.552299535e+00 -2.552299535e+00 4.10 -2.485739128e+00 -2.485739128e+00 4.12 -2.419411875e+00 -2.419411875e+00 4.14 -2.356369599e+00 -2.356369599e+00 4.16 -2.299420561e+00 -2.299420561e+00 4.18 -2.251189631e+00 -2.251189631e+00 4.20 -2.214000262e+00 -2.214000262e+00 4.22 -2.188551305e+00 -2.188551305e+00 4.24 -2.173762218e+00 -2.173762218e+00 4.26 -2.167826011e+00 -2.167826011e+00 4.28 -2.168788749e+00 -2.168788749e+00 4.30 -2.174590673e+00 -2.174590673e+00 4.32 -2.183108418e+00 -2.183108418e+00 4.34 -2.192443733e+00 -2.192443733e+00 4.36 -2.201758110e+00 -2.201758110e+00 4.38 -2.210477723e+00 -2.210477723e+00 4.40 -2.218014182e+00 -2.218014182e+00 4.42 -2.223762053e+00 -2.223762053e+00 4.44 -2.227097114e+00 -2.227097114e+00 4.46 -2.227266349e+00 -2.227266349e+00 4.48 -2.223982775e+00 -2.223982775e+00 4.50 -2.218405573e+00 -2.218405573e+00 4.52 -2.211912428e+00 -2.211912428e+00 4.54 -2.205896900e+00 -2.205896900e+00 4.56 -2.201777305e+00 -2.201777305e+00 4.58 -2.200810713e+00 -2.200810713e+00 4.60 -2.203654946e+00 -2.203654946e+00 4.62 -2.209390491e+00 -2.209390491e+00 4.64 -2.215656081e+00 -2.215656081e+00 4.66 -2.220052601e+00 -2.220052601e+00 4.68 -2.220306760e+00 -2.220306760e+00 4.70 -2.214918658e+00 -2.214918658e+00 4.72 -2.203401294e+00 -2.203401294e+00 4.74 -2.185674435e+00 -2.185674435e+00 4.76 -2.163077330e+00 -2.163077330e+00 4.78 -2.137589657e+00 -2.137589657e+00 4.80 -2.111077241e+00 -2.111077241e+00 4.82 -2.084072982e+00 -2.084072982e+00 4.84 -2.056031688e+00 -2.056031688e+00 4.86 -2.026308994e+00 -2.026308994e+00 4.88 -1.994000431e+00 -1.994000431e+00 4.90 -1.957327283e+00 -1.957327283e+00 4.92 -1.914586576e+00 -1.914586576e+00 4.94 -1.867053855e+00 -1.867053855e+00 4.96 -1.817494194e+00 -1.817494194e+00 4.98 -1.768896762e+00 -1.768896762e+00 5.00 -1.724782115e+00 -1.724782115e+00 5.02 -1.689703312e+00 -1.689703312e+00 5.04 -1.667284609e+00 -1.667284609e+00 5.06 -1.654606583e+00 -1.654606583e+00 5.08 -1.646672949e+00 -1.646672949e+00 5.10 -1.638375406e+00 -1.638375406e+00 5.12 -1.624567991e+00 -1.624567991e+00 5.14 -1.599962344e+00 -1.599962344e+00 5.16 -1.561168219e+00 -1.561168219e+00 5.18 -1.510222650e+00 -1.510222650e+00 5.20 -1.449237113e+00 -1.449237113e+00 5.22 -1.380386063e+00 -1.380386063e+00 5.24 -1.310209339e+00 -1.310209339e+00 5.26 -1.247972656e+00 -1.247972656e+00 5.28 -1.197365529e+00 -1.197365529e+00 5.30 -1.155697102e+00 -1.155697102e+00 5.32 -1.119173823e+00 -1.119173823e+00 5.34 -1.085366658e+00 -1.085366658e+00 5.36 -1.052022938e+00 -1.052022938e+00 5.38 -1.016018016e+00 -1.016018016e+00 5.40 -9.747975404e-01 -9.747975404e-01 5.42 -9.280334866e-01 -9.280334866e-01 5.44 -8.763935520e-01 -8.763935520e-01 5.46 -8.211296349e-01 -8.211296349e-01 5.48 -7.645154195e-01 -7.645154195e-01 5.50 -7.093682547e-01 -7.093682547e-01 5.52 -6.595441492e-01 -6.595441492e-01 5.54 -6.173116785e-01 -6.173116785e-01 5.56 -5.818991392e-01 -5.818991392e-01 5.58 -5.513480193e-01 -5.513480193e-01 5.60 -5.235975538e-01 -5.235975538e-01 5.62 -4.965568663e-01 -4.965568663e-01 5.64 -4.681195951e-01 -4.681195951e-01 5.66 -4.361635457e-01 -4.361635457e-01 5.68 -3.992077292e-01 -3.992077292e-01 5.70 -3.592975061e-01 -3.592975061e-01 5.72 -3.198261623e-01 -3.198261623e-01 5.74 -2.842040939e-01 -2.842040939e-01 5.76 -2.557906797e-01 -2.557906797e-01 5.78 -2.379406097e-01 -2.379406097e-01 5.80 -2.339962300e-01 -2.339962300e-01 5.82 -2.452662489e-01 -2.452662489e-01 5.84 -2.680472135e-01 -2.680472135e-01 5.86 -2.977895263e-01 -2.977895263e-01 5.88 -3.298957678e-01 -3.298957678e-01 5.90 -3.597553428e-01 -3.597553428e-01 5.92 -3.828060610e-01 -3.828060610e-01 5.94 -3.946132554e-01 -3.946132554e-01 5.96 -3.932949778e-01 -3.932949778e-01 5.98 -3.801639314e-01 -3.801639314e-01 6.00 -3.567943288e-01 -3.567943288e-01