# 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 = NbTaTi2 # 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 3.101611885e+03 3.101611885e+03 1.08 2.718851124e+03 2.718851124e+03 1.10 2.383172714e+03 2.383172714e+03 1.12 2.088905469e+03 2.088905469e+03 1.14 1.830794707e+03 1.830794707e+03 1.16 1.604385810e+03 1.604385810e+03 1.18 1.406548029e+03 1.406548029e+03 1.20 1.233834264e+03 1.233834264e+03 1.22 1.082959718e+03 1.082959718e+03 1.24 9.511014526e+02 9.511014526e+02 1.26 8.362639369e+02 8.362639369e+02 1.28 7.366719795e+02 7.366719795e+02 1.30 6.495912426e+02 6.495912426e+02 1.32 5.729499518e+02 5.729499518e+02 1.34 5.054319172e+02 5.054319172e+02 1.36 4.460147127e+02 4.460147127e+02 1.38 3.937403095e+02 3.937403095e+02 1.40 3.476112809e+02 3.476112809e+02 1.42 3.066823559e+02 3.066823559e+02 1.44 2.704372321e+02 2.704372321e+02 1.46 2.384584502e+02 2.384584502e+02 1.48 2.102566441e+02 2.102566441e+02 1.50 1.854265793e+02 1.854265793e+02 1.52 1.636260410e+02 1.636260410e+02 1.54 1.444135837e+02 1.444135837e+02 1.56 1.273622455e+02 1.273622455e+02 1.58 1.121815970e+02 1.121815970e+02 1.60 9.873101653e+01 9.873101653e+01 1.62 8.692689432e+01 8.692689432e+01 1.64 7.659430904e+01 7.659430904e+01 1.66 6.746936795e+01 6.746936795e+01 1.68 5.933219494e+01 5.933219494e+01 1.70 5.205248812e+01 5.205248812e+01 1.72 4.555745115e+01 4.555745115e+01 1.74 3.978621549e+01 3.978621549e+01 1.76 3.469292605e+01 3.469292605e+01 1.78 3.019122587e+01 3.019122587e+01 1.80 2.622765276e+01 2.622765276e+01 1.82 2.274320957e+01 2.274320957e+01 1.84 1.969395309e+01 1.969395309e+01 1.86 1.704343569e+01 1.704343569e+01 1.88 1.473675037e+01 1.473675037e+01 1.90 1.271825065e+01 1.271825065e+01 1.92 1.092502781e+01 1.092502781e+01 1.94 9.366986699e+00 9.366986699e+00 1.96 8.014509008e+00 8.014509008e+00 1.98 6.854574158e+00 6.854574158e+00 2.00 5.860741718e+00 5.860741718e+00 2.02 4.996804219e+00 4.996804219e+00 2.04 4.232921899e+00 4.232921899e+00 2.06 3.534450830e+00 3.534450830e+00 2.08 2.884012527e+00 2.884012527e+00 2.10 2.284705434e+00 2.284705434e+00 2.12 1.757163478e+00 1.757163478e+00 2.14 1.292603726e+00 1.292603726e+00 2.16 8.330564447e-01 8.330564447e-01 2.18 3.944382122e-01 3.944382122e-01 2.20 -3.165507225e-02 -3.165507225e-02 2.22 -6.427500887e-01 -6.427500887e-01 2.24 -1.208167462e+00 -1.208167462e+00 2.26 -1.677217048e+00 -1.677217048e+00 2.28 -2.056345361e+00 -2.056345361e+00 2.30 -2.387527004e+00 -2.387527004e+00 2.32 -2.670145277e+00 -2.670145277e+00 2.34 -2.921572684e+00 -2.921572684e+00 2.36 -3.169182771e+00 -3.169182771e+00 2.38 -3.421220288e+00 -3.421220288e+00 2.40 -3.675021419e+00 -3.675021419e+00 2.42 -3.935820654e+00 -3.935820654e+00 2.44 -4.200995310e+00 -4.200995310e+00 2.46 -4.463992891e+00 -4.463992891e+00 2.48 -4.687364962e+00 -4.687364962e+00 2.50 -4.887815888e+00 -4.887815888e+00 2.52 -5.064489855e+00 -5.064489855e+00 2.54 -5.219692421e+00 -5.219692421e+00 2.56 -5.357654212e+00 -5.357654212e+00 2.58 -5.488204795e+00 -5.488204795e+00 2.60 -5.618300492e+00 -5.618300492e+00 2.62 -5.745052982e+00 -5.745052982e+00 2.64 -5.869686868e+00 -5.869686868e+00 2.66 -5.985922248e+00 -5.985922248e+00 2.68 -6.081526755e+00 -6.081526755e+00 2.70 -6.154964734e+00 -6.154964734e+00 2.72 -6.203460173e+00 -6.203460173e+00 2.74 -6.235346560e+00 -6.235346560e+00 2.76 -6.257538120e+00 -6.257538120e+00 2.78 -6.271655098e+00 -6.271655098e+00 2.80 -6.275873095e+00 -6.275873095e+00 2.82 -6.278655301e+00 -6.278655301e+00 2.84 -6.279117390e+00 -6.279117390e+00 2.86 -6.268308903e+00 -6.268308903e+00 2.88 -6.251022576e+00 -6.251022576e+00 2.90 -6.227945002e+00 -6.227945002e+00 2.92 -6.198707119e+00 -6.198707119e+00 2.94 -6.162654065e+00 -6.162654065e+00 2.96 -6.116942255e+00 -6.116942255e+00 2.98 -6.066858598e+00 -6.066858598e+00 3.00 -6.019252122e+00 -6.019252122e+00 3.02 -5.970598927e+00 -5.970598927e+00 3.04 -5.926778595e+00 -5.926778595e+00 3.06 -5.888677036e+00 -5.888677036e+00 3.08 -5.844667377e+00 -5.844667377e+00 3.10 -5.787652601e+00 -5.787652601e+00 3.12 -5.721392887e+00 -5.721392887e+00 3.14 -5.653256660e+00 -5.653256660e+00 3.16 -5.584050869e+00 -5.584050869e+00 3.18 -5.511867232e+00 -5.511867232e+00 3.20 -5.439337197e+00 -5.439337197e+00 3.22 -5.371890675e+00 -5.371890675e+00 3.24 -5.315424503e+00 -5.315424503e+00 3.26 -5.265392780e+00 -5.265392780e+00 3.28 -5.217074288e+00 -5.217074288e+00 3.30 -5.170112894e+00 -5.170112894e+00 3.32 -5.122899105e+00 -5.122899105e+00 3.34 -5.072522550e+00 -5.072522550e+00 3.36 -5.014888962e+00 -5.014888962e+00 3.38 -4.945221460e+00 -4.945221460e+00 3.40 -4.858779454e+00 -4.858779454e+00 3.42 -4.752478980e+00 -4.752478980e+00 3.44 -4.625825496e+00 -4.625825496e+00 3.46 -4.482579640e+00 -4.482579640e+00 3.48 -4.334769219e+00 -4.334769219e+00 3.50 -4.198842216e+00 -4.198842216e+00 3.52 -4.060330977e+00 -4.060330977e+00 3.54 -3.908698224e+00 -3.908698224e+00 3.56 -3.771218441e+00 -3.771218441e+00 3.58 -3.658848537e+00 -3.658848537e+00 3.60 -3.562276379e+00 -3.562276379e+00 3.62 -3.473869812e+00 -3.473869812e+00 3.64 -3.390110836e+00 -3.390110836e+00 3.66 -3.312184007e+00 -3.312184007e+00 3.68 -3.240662541e+00 -3.240662541e+00 3.70 -3.174066598e+00 -3.174066598e+00 3.72 -3.111136666e+00 -3.111136666e+00 3.74 -3.052506049e+00 -3.052506049e+00 3.76 -3.001273223e+00 -3.001273223e+00 3.78 -2.960320040e+00 -2.960320040e+00 3.80 -2.932092416e+00 -2.932092416e+00 3.82 -2.908078289e+00 -2.908078289e+00 3.84 -2.883178955e+00 -2.883178955e+00 3.86 -2.856190002e+00 -2.856190002e+00 3.88 -2.825945826e+00 -2.825945826e+00 3.90 -2.791326683e+00 -2.791326683e+00 3.92 -2.751049907e+00 -2.751049907e+00 3.94 -2.704530755e+00 -2.704530755e+00 3.96 -2.652815649e+00 -2.652815649e+00 3.98 -2.597120400e+00 -2.597120400e+00 4.00 -2.538768321e+00 -2.538768321e+00 4.02 -2.480014918e+00 -2.480014918e+00 4.04 -2.423362984e+00 -2.423362984e+00 4.06 -2.369530564e+00 -2.369530564e+00 4.08 -2.316432577e+00 -2.316432577e+00 4.10 -2.262472055e+00 -2.262472055e+00 4.12 -2.208137211e+00 -2.208137211e+00 4.14 -2.155895247e+00 -2.155895247e+00 4.16 -2.107696812e+00 -2.107696812e+00 4.18 -2.064898935e+00 -2.064898935e+00 4.20 -2.028439319e+00 -2.028439319e+00 4.22 -1.998386449e+00 -1.998386449e+00 4.24 -1.973550512e+00 -1.973550512e+00 4.26 -1.952477267e+00 -1.952477267e+00 4.28 -1.933838731e+00 -1.933838731e+00 4.30 -1.916404010e+00 -1.916404010e+00 4.32 -1.899008516e+00 -1.899008516e+00 4.34 -1.880736288e+00 -1.880736288e+00 4.36 -1.861860482e+00 -1.861860482e+00 4.38 -1.843034619e+00 -1.843034619e+00 4.40 -1.824928596e+00 -1.824928596e+00 4.42 -1.808247667e+00 -1.808247667e+00 4.44 -1.793740219e+00 -1.793740219e+00 4.46 -1.781613197e+00 -1.781613197e+00 4.48 -1.770776382e+00 -1.770776382e+00 4.50 -1.760282190e+00 -1.760282190e+00 4.52 -1.749149026e+00 -1.749149026e+00 4.54 -1.736322716e+00 -1.736322716e+00 4.56 -1.720669555e+00 -1.720669555e+00 4.58 -1.701478050e+00 -1.701478050e+00 4.60 -1.678828686e+00 -1.678828686e+00 4.62 -1.652990890e+00 -1.652990890e+00 4.64 -1.624544919e+00 -1.624544919e+00 4.66 -1.594235144e+00 -1.594235144e+00 4.68 -1.562871660e+00 -1.562871660e+00 4.70 -1.531000508e+00 -1.531000508e+00 4.72 -1.498835341e+00 -1.498835341e+00 4.74 -1.466443327e+00 -1.466443327e+00 4.76 -1.433730992e+00 -1.433730992e+00 4.78 -1.400550381e+00 -1.400550381e+00 4.80 -1.366770497e+00 -1.366770497e+00 4.82 -1.332396808e+00 -1.332396808e+00 4.84 -1.297581281e+00 -1.297581281e+00 4.86 -1.262583585e+00 -1.262583585e+00 4.88 -1.227611191e+00 -1.227611191e+00 4.90 -1.192435020e+00 -1.192435020e+00 4.92 -1.156668927e+00 -1.156668927e+00 4.94 -1.120146807e+00 -1.120146807e+00 4.96 -1.082754757e+00 -1.082754757e+00 4.98 -1.044370770e+00 -1.044370770e+00 5.00 -1.004943176e+00 -1.004943176e+00 5.02 -9.651668061e-01 -9.651668061e-01 5.04 -9.263407278e-01 -9.263407278e-01 5.06 -8.891410240e-01 -8.891410240e-01 5.08 -8.542274318e-01 -8.542274318e-01 5.10 -8.223092808e-01 -8.223092808e-01 5.12 -7.940838401e-01 -7.940838401e-01 5.14 -7.699826824e-01 -7.699826824e-01 5.16 -7.489694674e-01 -7.489694674e-01 5.18 -7.294606194e-01 -7.294606194e-01 5.20 -7.097642518e-01 -7.097642518e-01 5.22 -6.880646453e-01 -6.880646453e-01 5.24 -6.623990183e-01 -6.623990183e-01 5.26 -6.306536678e-01 -6.306536678e-01 5.28 -5.924147481e-01 -5.924147481e-01 5.30 -5.503166079e-01 -5.503166079e-01 5.32 -5.079853878e-01 -5.079853878e-01 5.34 -4.700883102e-01 -4.700883102e-01 5.36 -4.416416878e-01 -4.416416878e-01 5.38 -4.233789026e-01 -4.233789026e-01 5.40 -4.054005634e-01 -4.054005634e-01 5.42 -3.867816265e-01 -3.867816265e-01 5.44 -3.677250245e-01 -3.677250245e-01 5.46 -3.484395959e-01 -3.484395959e-01 5.48 -3.291347828e-01 -3.291347828e-01 5.50 -3.100224163e-01 -3.100224163e-01 5.52 -2.913165748e-01 -2.913165748e-01 5.54 -2.732109165e-01 -2.732109165e-01 5.56 -2.555298381e-01 -2.555298381e-01 5.58 -2.378688017e-01 -2.378688017e-01 5.60 -2.197001474e-01 -2.197001474e-01 5.62 -2.006927751e-01 -2.006927751e-01 5.64 -1.808175437e-01 -1.808175437e-01 5.66 -1.584224790e-01 -1.584224790e-01 5.68 -1.294279441e-01 -1.294279441e-01 5.70 -9.539235399e-02 -9.539235399e-02 5.72 -6.439814028e-02 -6.439814028e-02 5.74 -4.409398513e-02 -4.409398513e-02 5.76 -3.914594327e-02 -3.914594327e-02 5.78 -4.966846754e-02 -4.966846754e-02 5.80 -7.096778464e-02 -7.096778464e-02 5.82 -9.479806003e-02 -9.479806003e-02 5.84 -1.124499793e-01 -1.124499793e-01 5.86 -1.179993764e-01 -1.179993764e-01 5.88 -1.101573518e-01 -1.101573518e-01 5.90 -9.311961559e-02 -9.311961559e-02 5.92 -7.600148625e-02 -7.600148625e-02 5.94 -7.030092986e-02 -7.030092986e-02 5.96 -8.372685546e-02 -8.372685546e-02 5.98 -1.101762412e-01 -1.101762412e-01 6.00 -1.332516031e-01 -1.332516031e-01