# 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 = MoNbZr2 # 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 5.672386501e+02 5.672386501e+02 1.08 5.157623648e+02 5.157623648e+02 1.10 4.699390427e+02 4.699390427e+02 1.12 4.287110943e+02 4.287110943e+02 1.14 3.905608166e+02 3.905608166e+02 1.16 3.559671752e+02 3.559671752e+02 1.18 3.247744540e+02 3.247744540e+02 1.20 2.961107708e+02 2.961107708e+02 1.22 2.700591212e+02 2.700591212e+02 1.24 2.466420537e+02 2.466420537e+02 1.26 2.253958536e+02 2.253958536e+02 1.28 2.062648198e+02 2.062648198e+02 1.30 1.891578071e+02 1.891578071e+02 1.32 1.736144466e+02 1.736144466e+02 1.34 1.592660656e+02 1.592660656e+02 1.36 1.458558774e+02 1.458558774e+02 1.38 1.336367012e+02 1.336367012e+02 1.40 1.224940125e+02 1.224940125e+02 1.42 1.122033052e+02 1.122033052e+02 1.44 1.028330651e+02 1.028330651e+02 1.46 9.423660795e+01 9.423660795e+01 1.48 8.624651275e+01 8.624651275e+01 1.50 7.886993480e+01 7.886993480e+01 1.52 7.217560877e+01 7.217560877e+01 1.54 6.608284039e+01 6.608284039e+01 1.56 6.042963324e+01 6.042963324e+01 1.58 5.522647190e+01 5.522647190e+01 1.60 5.051386818e+01 5.051386818e+01 1.62 4.621566972e+01 4.621566972e+01 1.64 4.221779191e+01 4.221779191e+01 1.66 3.849824592e+01 3.849824592e+01 1.68 3.506073794e+01 3.506073794e+01 1.70 3.195761616e+01 3.195761616e+01 1.72 2.923472321e+01 2.923472321e+01 1.74 2.678819074e+01 2.678819074e+01 1.76 2.459697804e+01 2.459697804e+01 1.78 2.258509026e+01 2.258509026e+01 1.80 2.074599835e+01 2.074599835e+01 1.82 1.904551094e+01 1.904551094e+01 1.84 1.751444898e+01 1.751444898e+01 1.86 1.605520642e+01 1.605520642e+01 1.88 1.470071560e+01 1.470071560e+01 1.90 1.346564893e+01 1.346564893e+01 1.92 1.236070975e+01 1.236070975e+01 1.94 1.137015284e+01 1.137015284e+01 1.96 1.045748235e+01 1.045748235e+01 1.98 9.569343326e+00 9.569343326e+00 2.00 8.680547966e+00 8.680547966e+00 2.02 7.843305734e+00 7.843305734e+00 2.04 7.108240174e+00 7.108240174e+00 2.06 6.462686343e+00 6.462686343e+00 2.08 5.859905819e+00 5.859905819e+00 2.10 5.296814454e+00 5.296814454e+00 2.12 4.768206029e+00 4.768206029e+00 2.14 4.261131765e+00 4.261131765e+00 2.16 3.763406604e+00 3.763406604e+00 2.18 3.246383176e+00 3.246383176e+00 2.20 2.587634085e+00 2.587634085e+00 2.22 1.953602022e+00 1.953602022e+00 2.24 1.365162501e+00 1.365162501e+00 2.26 6.898101756e-01 6.898101756e-01 2.28 6.799532558e-02 6.799532558e-02 2.30 -4.845858030e-01 -4.845858030e-01 2.32 -9.845863377e-01 -9.845863377e-01 2.34 -1.440322983e+00 -1.440322983e+00 2.36 -1.848714529e+00 -1.848714529e+00 2.38 -2.251130126e+00 -2.251130126e+00 2.40 -2.632388632e+00 -2.632388632e+00 2.42 -2.991810796e+00 -2.991810796e+00 2.44 -3.326289855e+00 -3.326289855e+00 2.46 -3.640277042e+00 -3.640277042e+00 2.48 -3.934200920e+00 -3.934200920e+00 2.50 -4.208552080e+00 -4.208552080e+00 2.52 -4.458413426e+00 -4.458413426e+00 2.54 -4.681570815e+00 -4.681570815e+00 2.56 -4.894247346e+00 -4.894247346e+00 2.58 -5.090534352e+00 -5.090534352e+00 2.60 -5.289210257e+00 -5.289210257e+00 2.62 -5.501939694e+00 -5.501939694e+00 2.64 -5.723850253e+00 -5.723850253e+00 2.66 -5.937177080e+00 -5.937177080e+00 2.68 -6.116070030e+00 -6.116070030e+00 2.70 -6.241645386e+00 -6.241645386e+00 2.72 -6.334556220e+00 -6.334556220e+00 2.74 -6.409955129e+00 -6.409955129e+00 2.76 -6.482419459e+00 -6.482419459e+00 2.78 -6.555789803e+00 -6.555789803e+00 2.80 -6.623898578e+00 -6.623898578e+00 2.82 -6.677258672e+00 -6.677258672e+00 2.84 -6.710144572e+00 -6.710144572e+00 2.86 -6.728017269e+00 -6.728017269e+00 2.88 -6.743198547e+00 -6.743198547e+00 2.90 -6.765423867e+00 -6.765423867e+00 2.92 -6.783093014e+00 -6.783093014e+00 2.94 -6.785680870e+00 -6.785680870e+00 2.96 -6.774261500e+00 -6.774261500e+00 2.98 -6.751213842e+00 -6.751213842e+00 3.00 -6.717116878e+00 -6.717116878e+00 3.02 -6.670504533e+00 -6.670504533e+00 3.04 -6.609736898e+00 -6.609736898e+00 3.06 -6.537514040e+00 -6.537514040e+00 3.08 -6.463116910e+00 -6.463116910e+00 3.10 -6.398785342e+00 -6.398785342e+00 3.12 -6.344725842e+00 -6.344725842e+00 3.14 -6.291940974e+00 -6.291940974e+00 3.16 -6.235611488e+00 -6.235611488e+00 3.18 -6.171092424e+00 -6.171092424e+00 3.20 -6.099312997e+00 -6.099312997e+00 3.22 -6.024222083e+00 -6.024222083e+00 3.24 -5.972910041e+00 -5.972910041e+00 3.26 -5.937096531e+00 -5.937096531e+00 3.28 -5.899552754e+00 -5.899552754e+00 3.30 -5.858184271e+00 -5.858184271e+00 3.32 -5.811313420e+00 -5.811313420e+00 3.34 -5.757722643e+00 -5.757722643e+00 3.36 -5.696037928e+00 -5.696037928e+00 3.38 -5.624338136e+00 -5.624338136e+00 3.40 -5.541081860e+00 -5.541081860e+00 3.42 -5.447671232e+00 -5.447671232e+00 3.44 -5.349538065e+00 -5.349538065e+00 3.46 -5.254107419e+00 -5.254107419e+00 3.48 -5.164256413e+00 -5.164256413e+00 3.50 -5.079804503e+00 -5.079804503e+00 3.52 -5.000450763e+00 -5.000450763e+00 3.54 -4.923887725e+00 -4.923887725e+00 3.56 -4.846091652e+00 -4.846091652e+00 3.58 -4.764210802e+00 -4.764210802e+00 3.60 -4.677054289e+00 -4.677054289e+00 3.62 -4.584913153e+00 -4.584913153e+00 3.64 -4.490999307e+00 -4.490999307e+00 3.66 -4.398462461e+00 -4.398462461e+00 3.68 -4.305300473e+00 -4.305300473e+00 3.70 -4.206330349e+00 -4.206330349e+00 3.72 -4.095709140e+00 -4.095709140e+00 3.74 -3.972388891e+00 -3.972388891e+00 3.76 -3.842590787e+00 -3.842590787e+00 3.78 -3.713276433e+00 -3.713276433e+00 3.80 -3.591194733e+00 -3.591194733e+00 3.82 -3.462775045e+00 -3.462775045e+00 3.84 -3.320623432e+00 -3.320623432e+00 3.86 -3.167626217e+00 -3.167626217e+00 3.88 -3.013135672e+00 -3.013135672e+00 3.90 -2.868787618e+00 -2.868787618e+00 3.92 -2.747266657e+00 -2.747266657e+00 3.94 -2.647661858e+00 -2.647661858e+00 3.96 -2.558664049e+00 -2.558664049e+00 3.98 -2.467374396e+00 -2.467374396e+00 4.00 -2.371099976e+00 -2.371099976e+00 4.02 -2.276032807e+00 -2.276032807e+00 4.04 -2.187818597e+00 -2.187818597e+00 4.06 -2.109767273e+00 -2.109767273e+00 4.08 -2.041536275e+00 -2.041536275e+00 4.10 -1.981411772e+00 -1.981411772e+00 4.12 -1.928321794e+00 -1.928321794e+00 4.14 -1.881690075e+00 -1.881690075e+00 4.16 -1.841040191e+00 -1.841040191e+00 4.18 -1.805906944e+00 -1.805906944e+00 4.20 -1.775850802e+00 -1.775850802e+00 4.22 -1.750890987e+00 -1.750890987e+00 4.24 -1.730250677e+00 -1.730250677e+00 4.26 -1.712569208e+00 -1.712569208e+00 4.28 -1.696489437e+00 -1.696489437e+00 4.30 -1.680666188e+00 -1.680666188e+00 4.32 -1.663761317e+00 -1.663761317e+00 4.34 -1.644756999e+00 -1.644756999e+00 4.36 -1.624019693e+00 -1.624019693e+00 4.38 -1.602312887e+00 -1.602312887e+00 4.40 -1.580401916e+00 -1.580401916e+00 4.42 -1.559005657e+00 -1.559005657e+00 4.44 -1.538834401e+00 -1.538834401e+00 4.46 -1.520512510e+00 -1.520512510e+00 4.48 -1.503959176e+00 -1.503959176e+00 4.50 -1.488567960e+00 -1.488567960e+00 4.52 -1.473683417e+00 -1.473683417e+00 4.54 -1.458623369e+00 -1.458623369e+00 4.56 -1.442672419e+00 -1.442672419e+00 4.58 -1.425065010e+00 -1.425065010e+00 4.60 -1.405075706e+00 -1.405075706e+00 4.62 -1.382540458e+00 -1.382540458e+00 4.64 -1.357642084e+00 -1.357642084e+00 4.66 -1.330580252e+00 -1.330580252e+00 4.68 -1.301593750e+00 -1.301593750e+00 4.70 -1.271106423e+00 -1.271106423e+00 4.72 -1.239805703e+00 -1.239805703e+00 4.74 -1.208461628e+00 -1.208461628e+00 4.76 -1.177416774e+00 -1.177416774e+00 4.78 -1.146838717e+00 -1.146838717e+00 4.80 -1.116870088e+00 -1.116870088e+00 4.82 -1.087868550e+00 -1.087868550e+00 4.84 -1.060305478e+00 -1.060305478e+00 4.86 -1.034612619e+00 -1.034612619e+00 4.88 -1.011174943e+00 -1.011174943e+00 4.90 -9.904395953e-01 -9.904395953e-01 4.92 -9.727868147e-01 -9.727868147e-01 4.94 -9.580332523e-01 -9.580332523e-01 4.96 -9.458153861e-01 -9.458153861e-01 4.98 -9.357766405e-01 -9.357766405e-01 5.00 -9.275541709e-01 -9.275541709e-01 5.02 -9.205391774e-01 -9.205391774e-01 5.04 -9.138180339e-01 -9.138180339e-01 5.06 -9.067626738e-01 -9.067626738e-01 5.08 -8.988144919e-01 -8.988144919e-01 5.10 -8.894191123e-01 -8.894191123e-01 5.12 -8.780131691e-01 -8.780131691e-01 5.14 -8.641007444e-01 -8.641007444e-01 5.16 -8.478815324e-01 -8.478815324e-01 5.18 -8.298276036e-01 -8.298276036e-01 5.20 -8.104506409e-01 -8.104506409e-01 5.22 -7.903017114e-01 -7.903017114e-01 5.24 -7.697081026e-01 -7.697081026e-01 5.26 -7.486796330e-01 -7.486796330e-01 5.28 -7.274421225e-01 -7.274421225e-01 5.30 -7.062800821e-01 -7.062800821e-01 5.32 -6.861635534e-01 -6.861635534e-01 5.34 -6.694754123e-01 -6.694754123e-01 5.36 -6.598042053e-01 -6.598042053e-01 5.38 -6.580758815e-01 -6.580758815e-01 5.40 -6.557339974e-01 -6.557339974e-01 5.42 -6.515264687e-01 -6.515264687e-01 5.44 -6.456829681e-01 -6.456829681e-01 5.46 -6.384931702e-01 -6.384931702e-01 5.48 -6.302423102e-01 -6.302423102e-01 5.50 -6.212094609e-01 -6.212094609e-01 5.52 -6.116659563e-01 -6.116659563e-01 5.54 -6.018693432e-01 -6.018693432e-01 5.56 -5.919227522e-01 -5.919227522e-01 5.58 -5.817405816e-01 -5.817405816e-01 5.60 -5.712264757e-01 -5.712264757e-01 5.62 -5.602877662e-01 -5.602877662e-01 5.64 -5.488364117e-01 -5.488364117e-01 5.66 -5.367906752e-01 -5.367906752e-01 5.68 -5.240408823e-01 -5.240408823e-01 5.70 -5.104433407e-01 -5.104433407e-01 5.72 -4.958992338e-01 -4.958992338e-01 5.74 -4.802991519e-01 -4.802991519e-01 5.76 -4.635208857e-01 -4.635208857e-01 5.78 -4.454278105e-01 -4.454278105e-01 5.80 -4.258693782e-01 -4.258693782e-01 5.82 -4.048832314e-01 -4.048832314e-01 5.84 -3.828688866e-01 -3.828688866e-01 5.86 -3.603248975e-01 -3.603248975e-01 5.88 -3.377596821e-01 -3.377596821e-01 5.90 -3.160286979e-01 -3.160286979e-01 5.92 -2.961172783e-01 -2.961172783e-01 5.94 -2.785227070e-01 -2.785227070e-01 5.96 -2.629581015e-01 -2.629581015e-01 5.98 -2.483748933e-01 -2.483748933e-01 6.00 -2.336762890e-01 -2.336762890e-01