# 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 = MoNbTi2 # 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 3.662476640e+03 3.662476640e+03 1.08 3.223039724e+03 3.223039724e+03 1.10 2.836946827e+03 2.836946827e+03 1.12 2.497522498e+03 2.497522498e+03 1.14 2.198756547e+03 2.198756547e+03 1.16 1.936101240e+03 1.936101240e+03 1.18 1.705657418e+03 1.705657418e+03 1.20 1.502824962e+03 1.502824962e+03 1.22 1.324192315e+03 1.324192315e+03 1.24 1.166887106e+03 1.166887106e+03 1.26 1.028358025e+03 1.028358025e+03 1.28 9.063967288e+02 9.063967288e+02 1.30 7.989857737e+02 7.989857737e+02 1.32 7.042321518e+02 7.042321518e+02 1.34 6.206014704e+02 6.206014704e+02 1.36 5.467545933e+02 5.467545933e+02 1.38 4.817880763e+02 4.817880763e+02 1.40 4.246674747e+02 4.246674747e+02 1.42 3.743030051e+02 3.743030051e+02 1.44 3.298875109e+02 3.298875109e+02 1.46 2.907013588e+02 2.907013588e+02 1.48 2.561015220e+02 2.561015220e+02 1.50 2.255411472e+02 2.255411472e+02 1.52 1.986007380e+02 1.986007380e+02 1.54 1.748530845e+02 1.748530845e+02 1.56 1.538943667e+02 1.538943667e+02 1.58 1.354454036e+02 1.354454036e+02 1.60 1.192527179e+02 1.192527179e+02 1.62 1.049973779e+02 1.049973779e+02 1.64 9.239032007e+01 9.239032007e+01 1.66 8.123103319e+01 8.123103319e+01 1.68 7.134907492e+01 7.134907492e+01 1.70 6.260444427e+01 6.260444427e+01 1.72 5.488384518e+01 5.488384518e+01 1.74 4.802781272e+01 4.802781272e+01 1.76 4.205265501e+01 4.205265501e+01 1.78 3.682114024e+01 3.682114024e+01 1.80 3.224367845e+01 3.224367845e+01 1.82 2.825521038e+01 2.825521038e+01 1.84 2.479001135e+01 2.479001135e+01 1.86 2.176378588e+01 2.176378588e+01 1.88 1.909026126e+01 1.909026126e+01 1.90 1.670460291e+01 1.670460291e+01 1.92 1.456423192e+01 1.456423192e+01 1.94 1.263540244e+01 1.263540244e+01 1.96 1.089013110e+01 1.089013110e+01 1.98 9.305995539e+00 9.305995539e+00 2.00 7.877558806e+00 7.877558806e+00 2.02 6.624162541e+00 6.624162541e+00 2.04 5.550798821e+00 5.550798821e+00 2.06 4.616165353e+00 4.616165353e+00 2.08 3.735384448e+00 3.735384448e+00 2.10 2.846738839e+00 2.846738839e+00 2.12 2.062955183e+00 2.062955183e+00 2.14 1.320473343e+00 1.320473343e+00 2.16 6.565196955e-01 6.565196955e-01 2.18 8.003400595e-02 8.003400595e-02 2.20 -6.606393590e-01 -6.606393590e-01 2.22 -1.336293325e+00 -1.336293325e+00 2.24 -1.812367654e+00 -1.812367654e+00 2.26 -2.163940540e+00 -2.163940540e+00 2.28 -2.428069974e+00 -2.428069974e+00 2.30 -2.646323472e+00 -2.646323472e+00 2.32 -2.853278690e+00 -2.853278690e+00 2.34 -3.062450878e+00 -3.062450878e+00 2.36 -3.278935912e+00 -3.278935912e+00 2.38 -3.506000237e+00 -3.506000237e+00 2.40 -3.748832816e+00 -3.748832816e+00 2.42 -4.000067490e+00 -4.000067490e+00 2.44 -4.239969673e+00 -4.239969673e+00 2.46 -4.458946075e+00 -4.458946075e+00 2.48 -4.654036929e+00 -4.654036929e+00 2.50 -4.830865021e+00 -4.830865021e+00 2.52 -4.993378198e+00 -4.993378198e+00 2.54 -5.135150098e+00 -5.135150098e+00 2.56 -5.263691331e+00 -5.263691331e+00 2.58 -5.387392250e+00 -5.387392250e+00 2.60 -5.511015365e+00 -5.511015365e+00 2.62 -5.638498293e+00 -5.638498293e+00 2.64 -5.762810213e+00 -5.762810213e+00 2.66 -5.863274855e+00 -5.863274855e+00 2.68 -5.939574394e+00 -5.939574394e+00 2.70 -5.992260930e+00 -5.992260930e+00 2.72 -6.027102207e+00 -6.027102207e+00 2.74 -6.048625209e+00 -6.048625209e+00 2.76 -6.062966023e+00 -6.062966023e+00 2.78 -6.073029873e+00 -6.073029873e+00 2.80 -6.076058116e+00 -6.076058116e+00 2.82 -6.064604740e+00 -6.064604740e+00 2.84 -6.037702980e+00 -6.037702980e+00 2.86 -6.003896903e+00 -6.003896903e+00 2.88 -5.969122522e+00 -5.969122522e+00 2.90 -5.936637538e+00 -5.936637538e+00 2.92 -5.904609586e+00 -5.904609586e+00 2.94 -5.869270696e+00 -5.869270696e+00 2.96 -5.833530156e+00 -5.833530156e+00 2.98 -5.796631966e+00 -5.796631966e+00 3.00 -5.751990009e+00 -5.751990009e+00 3.02 -5.701105398e+00 -5.701105398e+00 3.04 -5.649297443e+00 -5.649297443e+00 3.06 -5.591712083e+00 -5.591712083e+00 3.08 -5.523208987e+00 -5.523208987e+00 3.10 -5.458806691e+00 -5.458806691e+00 3.12 -5.404427567e+00 -5.404427567e+00 3.14 -5.348322900e+00 -5.348322900e+00 3.16 -5.282214719e+00 -5.282214719e+00 3.18 -5.199362461e+00 -5.199362461e+00 3.20 -5.107464974e+00 -5.107464974e+00 3.22 -5.023426004e+00 -5.023426004e+00 3.24 -4.963772493e+00 -4.963772493e+00 3.26 -4.917172314e+00 -4.917172314e+00 3.28 -4.870134058e+00 -4.870134058e+00 3.30 -4.818918153e+00 -4.818918153e+00 3.32 -4.760122409e+00 -4.760122409e+00 3.34 -4.692226661e+00 -4.692226661e+00 3.36 -4.614017946e+00 -4.614017946e+00 3.38 -4.520906649e+00 -4.520906649e+00 3.40 -4.408393558e+00 -4.408393558e+00 3.42 -4.275445683e+00 -4.275445683e+00 3.44 -4.123475127e+00 -4.123475127e+00 3.46 -3.947608497e+00 -3.947608497e+00 3.48 -3.770532972e+00 -3.770532972e+00 3.50 -3.605022343e+00 -3.605022343e+00 3.52 -3.448258951e+00 -3.448258951e+00 3.54 -3.302894182e+00 -3.302894182e+00 3.56 -3.169326393e+00 -3.169326393e+00 3.58 -3.046088055e+00 -3.046088055e+00 3.60 -2.932470437e+00 -2.932470437e+00 3.62 -2.829203270e+00 -2.829203270e+00 3.64 -2.737147920e+00 -2.737147920e+00 3.66 -2.656508705e+00 -2.656508705e+00 3.68 -2.585035373e+00 -2.585035373e+00 3.70 -2.519238922e+00 -2.519238922e+00 3.72 -2.455310202e+00 -2.455310202e+00 3.74 -2.393904408e+00 -2.393904408e+00 3.76 -2.341898724e+00 -2.341898724e+00 3.78 -2.306761496e+00 -2.306761496e+00 3.80 -2.295082321e+00 -2.295082321e+00 3.82 -2.293041918e+00 -2.293041918e+00 3.84 -2.291693842e+00 -2.291693842e+00 3.86 -2.289007912e+00 -2.289007912e+00 3.88 -2.283264809e+00 -2.283264809e+00 3.90 -2.272329900e+00 -2.272329900e+00 3.92 -2.253131983e+00 -2.253131983e+00 3.94 -2.223172685e+00 -2.223172685e+00 3.96 -2.182579844e+00 -2.182579844e+00 3.98 -2.134419843e+00 -2.134419843e+00 4.00 -2.083009989e+00 -2.083009989e+00 4.02 -2.032581874e+00 -2.032581874e+00 4.04 -1.985768297e+00 -1.985768297e+00 4.06 -1.944019158e+00 -1.944019158e+00 4.08 -1.907736914e+00 -1.907736914e+00 4.10 -1.875777528e+00 -1.875777528e+00 4.12 -1.847416527e+00 -1.847416527e+00 4.14 -1.822104544e+00 -1.822104544e+00 4.16 -1.799047429e+00 -1.799047429e+00 4.18 -1.777230249e+00 -1.777230249e+00 4.20 -1.755659738e+00 -1.755659738e+00 4.22 -1.734847921e+00 -1.734847921e+00 4.24 -1.715097508e+00 -1.715097508e+00 4.26 -1.696204165e+00 -1.696204165e+00 4.28 -1.677975215e+00 -1.677975215e+00 4.30 -1.660236252e+00 -1.660236252e+00 4.32 -1.642828463e+00 -1.642828463e+00 4.34 -1.625621091e+00 -1.625621091e+00 4.36 -1.608903680e+00 -1.608903680e+00 4.38 -1.593176217e+00 -1.593176217e+00 4.40 -1.578951473e+00 -1.578951473e+00 4.42 -1.566751803e+00 -1.566751803e+00 4.44 -1.557099251e+00 -1.557099251e+00 4.46 -1.550133175e+00 -1.550133175e+00 4.48 -1.544966336e+00 -1.544966336e+00 4.50 -1.540538113e+00 -1.540538113e+00 4.52 -1.535769001e+00 -1.535769001e+00 4.54 -1.529565635e+00 -1.529565635e+00 4.56 -1.520822908e+00 -1.520822908e+00 4.58 -1.508599897e+00 -1.508599897e+00 4.60 -1.492262594e+00 -1.492262594e+00 4.62 -1.471640558e+00 -1.471640558e+00 4.64 -1.446866754e+00 -1.446866754e+00 4.66 -1.418067327e+00 -1.418067327e+00 4.68 -1.385367433e+00 -1.385367433e+00 4.70 -1.349062951e+00 -1.349062951e+00 4.72 -1.309639348e+00 -1.309639348e+00 4.74 -1.267647932e+00 -1.267647932e+00 4.76 -1.223770477e+00 -1.223770477e+00 4.78 -1.178809919e+00 -1.178809919e+00 4.80 -1.133678850e+00 -1.133678850e+00 4.82 -1.089444686e+00 -1.089444686e+00 4.84 -1.047239799e+00 -1.047239799e+00 4.86 -1.008170930e+00 -1.008170930e+00 4.88 -9.729314609e-01 -9.729314609e-01 4.90 -9.413574462e-01 -9.413574462e-01 4.92 -9.130369600e-01 -9.130369600e-01 4.94 -8.873328533e-01 -8.873328533e-01 4.96 -8.635914704e-01 -8.635914704e-01 4.98 -8.412015029e-01 -8.412015029e-01 5.00 -8.195968859e-01 -8.195968859e-01 5.02 -7.987405063e-01 -7.987405063e-01 5.04 -7.790132096e-01 -7.790132096e-01 5.06 -7.605709961e-01 -7.605709961e-01 5.08 -7.434582497e-01 -7.434582497e-01 5.10 -7.277971954e-01 -7.277971954e-01 5.12 -7.139942150e-01 -7.139942150e-01 5.14 -7.027900283e-01 -7.027900283e-01 5.16 -6.941568844e-01 -6.941568844e-01 5.18 -6.867466323e-01 -6.867466323e-01 5.20 -6.787698234e-01 -6.787698234e-01 5.22 -6.680811737e-01 -6.680811737e-01 5.24 -6.520462603e-01 -6.520462603e-01 5.26 -6.272957117e-01 -6.272957117e-01 5.28 -5.924174853e-01 -5.924174853e-01 5.30 -5.499884392e-01 -5.499884392e-01 5.32 -5.049096358e-01 -5.049096358e-01 5.34 -4.647097546e-01 -4.647097546e-01 5.36 -4.397749217e-01 -4.397749217e-01 5.38 -4.322278036e-01 -4.322278036e-01 5.40 -4.233993525e-01 -4.233993525e-01 5.42 -4.112576561e-01 -4.112576561e-01 5.44 -3.963025798e-01 -3.963025798e-01 5.46 -3.790797556e-01 -3.790797556e-01 5.48 -3.601359512e-01 -3.601359512e-01 5.50 -3.400222864e-01 -3.400222864e-01 5.52 -3.192945199e-01 -3.192945199e-01 5.54 -2.984973571e-01 -2.984973571e-01 5.56 -2.778827695e-01 -2.778827695e-01 5.58 -2.575247677e-01 -2.575247677e-01 5.60 -2.373789835e-01 -2.373789835e-01 5.62 -2.176003279e-01 -2.176003279e-01 5.64 -1.986468491e-01 -1.986468491e-01 5.66 -1.793525354e-01 -1.793525354e-01 5.68 -1.559107978e-01 -1.559107978e-01 5.70 -1.292198245e-01 -1.292198245e-01 5.72 -1.064452308e-01 -1.064452308e-01 5.74 -9.432123888e-02 -9.432123888e-02 5.76 -9.659571601e-02 -9.659571601e-02 5.78 -1.124612866e-01 -1.124612866e-01 5.80 -1.363033020e-01 -1.363033020e-01 5.82 -1.595196036e-01 -1.595196036e-01 5.84 -1.741434625e-01 -1.741434625e-01 5.86 -1.751218529e-01 -1.751218529e-01 5.88 -1.620396329e-01 -1.620396329e-01 5.90 -1.399750217e-01 -1.399750217e-01 5.92 -1.189322785e-01 -1.189322785e-01 5.94 -1.112544170e-01 -1.112544170e-01 5.96 -1.246429912e-01 -1.246429912e-01 5.98 -1.522130689e-01 -1.522130689e-01 6.00 -1.767478907e-01 -1.767478907e-01