# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoTa2W # 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 2024-04-11 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.372003260e+02 3.372003260e+02 1.30 3.116501238e+02 3.116501238e+02 1.32 2.880472202e+02 2.880472202e+02 1.34 2.662291604e+02 2.662291604e+02 1.36 2.460492415e+02 2.460492415e+02 1.38 2.273744323e+02 2.273744323e+02 1.40 2.100841007e+02 2.100841007e+02 1.42 1.940691024e+02 1.940691024e+02 1.44 1.792303732e+02 1.792303732e+02 1.46 1.654770228e+02 1.654770228e+02 1.48 1.527245188e+02 1.527245188e+02 1.50 1.408934992e+02 1.408934992e+02 1.52 1.299095770e+02 1.299095770e+02 1.54 1.197041588e+02 1.197041588e+02 1.56 1.102156706e+02 1.102156706e+02 1.58 1.013902313e+02 1.013902313e+02 1.60 9.318119486e+01 9.318119486e+01 1.62 8.554773784e+01 8.554773784e+01 1.64 7.845313273e+01 7.845313273e+01 1.66 7.186329901e+01 7.186329901e+01 1.68 6.574589677e+01 6.574589677e+01 1.70 6.006991784e+01 6.006991784e+01 1.72 5.480558040e+01 5.480558040e+01 1.74 4.992435440e+01 4.992435440e+01 1.76 4.539904418e+01 4.539904418e+01 1.78 4.120392196e+01 4.120392196e+01 1.80 3.731489790e+01 3.731489790e+01 1.82 3.370967311e+01 3.370967311e+01 1.84 3.036781155e+01 3.036781155e+01 1.86 2.727069006e+01 2.727069006e+01 1.88 2.440131407e+01 2.440131407e+01 1.90 2.174401829e+01 2.174401829e+01 1.92 1.928643761e+01 1.928643761e+01 1.94 1.702235277e+01 1.702235277e+01 1.96 1.493796301e+01 1.493796301e+01 1.98 1.301928485e+01 1.301928485e+01 2.00 1.125311552e+01 1.125311552e+01 2.02 9.626397257e+00 9.626397257e+00 2.04 8.127040108e+00 8.127040108e+00 2.06 6.744118727e+00 6.744118727e+00 2.08 5.467933260e+00 5.467933260e+00 2.10 4.289944199e+00 4.289944199e+00 2.12 3.202629406e+00 3.202629406e+00 2.14 2.199325200e+00 2.199325200e+00 2.16 1.274092966e+00 1.274092966e+00 2.18 4.216200614e-01 4.216200614e-01 2.20 -3.628597552e-01 -3.628597552e-01 2.22 -1.083646472e+00 -1.083646472e+00 2.24 -1.744665455e+00 -1.744665455e+00 2.26 -2.349568076e+00 -2.349568076e+00 2.28 -2.901829562e+00 -2.901829562e+00 2.30 -3.404829438e+00 -3.404829438e+00 2.32 -3.861902302e+00 -3.861902302e+00 2.34 -4.276352126e+00 -4.276352126e+00 2.36 -4.651430911e+00 -4.651430911e+00 2.38 -4.990290585e+00 -4.990290585e+00 2.40 -5.295923139e+00 -5.295923139e+00 2.42 -5.571105767e+00 -5.571105767e+00 2.44 -5.818364113e+00 -5.818364113e+00 2.46 -6.039959520e+00 -6.039959520e+00 2.48 -6.237898538e+00 -6.237898538e+00 2.50 -6.413958231e+00 -6.413958231e+00 2.52 -6.569719821e+00 -6.569719821e+00 2.54 -6.706604598e+00 -6.706604598e+00 2.56 -6.825907553e+00 -6.825907553e+00 2.58 -6.928824754e+00 -6.928824754e+00 2.60 -7.016455145e+00 -7.016455145e+00 2.62 -7.089751473e+00 -7.089751473e+00 2.64 -7.149559316e+00 -7.149559316e+00 2.66 -7.196970008e+00 -7.196970008e+00 2.68 -7.233017956e+00 -7.233017956e+00 2.70 -7.258626707e+00 -7.258626707e+00 2.72 -7.274621412e+00 -7.274621412e+00 2.74 -7.281741159e+00 -7.281741159e+00 2.76 -7.280649765e+00 -7.280649765e+00 2.78 -7.271940035e+00 -7.271940035e+00 2.80 -7.255875820e+00 -7.255875820e+00 2.82 -7.232314213e+00 -7.232314213e+00 2.84 -7.201159139e+00 -7.201159139e+00 2.86 -7.162389685e+00 -7.162389685e+00 2.88 -7.116073740e+00 -7.116073740e+00 2.90 -7.062333243e+00 -7.062333243e+00 2.92 -7.001256219e+00 -7.001256219e+00 2.94 -6.932979880e+00 -6.932979880e+00 2.96 -6.857685363e+00 -6.857685363e+00 2.98 -6.775587878e+00 -6.775587878e+00 3.00 -6.686925537e+00 -6.686925537e+00 3.02 -6.591937122e+00 -6.591937122e+00 3.04 -6.490777841e+00 -6.490777841e+00 3.06 -6.383571938e+00 -6.383571938e+00 3.08 -6.270455704e+00 -6.270455704e+00 3.10 -6.151569107e+00 -6.151569107e+00 3.12 -6.027051522e+00 -6.027051522e+00 3.14 -5.897043097e+00 -5.897043097e+00 3.16 -5.761691903e+00 -5.761691903e+00 3.18 -5.621166039e+00 -5.621166039e+00 3.20 -5.475669077e+00 -5.475669077e+00 3.22 -5.325456779e+00 -5.325456779e+00 3.24 -5.170852877e+00 -5.170852877e+00 3.26 -5.012261702e+00 -5.012261702e+00 3.28 -4.850175742e+00 -4.850175742e+00 3.30 -4.685176676e+00 -4.685176676e+00 3.32 -4.517929119e+00 -4.517929119e+00 3.34 -4.349167193e+00 -4.349167193e+00 3.36 -4.179674884e+00 -4.179674884e+00 3.38 -4.010261864e+00 -4.010261864e+00 3.40 -3.841736819e+00 -3.841736819e+00 3.42 -3.674880414e+00 -3.674880414e+00 3.44 -3.510419751e+00 -3.510419751e+00 3.46 -3.349005816e+00 -3.349005816e+00 3.48 -3.191195048e+00 -3.191195048e+00 3.50 -3.037435823e+00 -3.037435823e+00 3.52 -2.888060487e+00 -2.888060487e+00 3.54 -2.743283314e+00 -2.743283314e+00 3.56 -2.603204591e+00 -2.603204591e+00 3.58 -2.467820645e+00 -2.467820645e+00 3.60 -2.337039292e+00 -2.337039292e+00 3.62 -2.210699722e+00 -2.210699722e+00 3.64 -2.088595487e+00 -2.088595487e+00 3.66 -1.970499012e+00 -1.970499012e+00 3.68 -1.856185863e+00 -1.856185863e+00 3.70 -1.745457055e+00 -1.745457055e+00 3.72 -1.638157779e+00 -1.638157779e+00 3.74 -1.534191197e+00 -1.534191197e+00 3.76 -1.433526295e+00 -1.433526295e+00 3.78 -1.336199272e+00 -1.336199272e+00 3.80 -1.242308456e+00 -1.242308456e+00 3.82 -1.152003372e+00 -1.152003372e+00 3.84 -1.065469109e+00 -1.065469109e+00 3.86 -9.829076252e-01 -9.829076252e-01 3.88 -9.045179196e-01 -9.045179196e-01 3.90 -8.304770353e-01 -8.304770353e-01 3.92 -7.609236603e-01 -7.609236603e-01 3.94 -6.959456748e-01 -6.959456748e-01 3.96 -6.355724206e-01 -6.355724206e-01 3.98 -5.797718686e-01 -5.797718686e-01 4.00 -5.284523087e-01 -5.284523087e-01 4.02 -4.814677750e-01 -4.814677750e-01 4.04 -4.386261831e-01 -4.386261831e-01 4.06 -3.996990899e-01 -3.996990899e-01 4.08 -3.644320666e-01 -3.644320666e-01 4.10 -3.325548494e-01 -3.325548494e-01 4.12 -3.037906542e-01 -3.037906542e-01 4.14 -2.778642556e-01 -2.778642556e-01 4.16 -2.545086315e-01 -2.545086315e-01 4.18 -2.334701125e-01 -2.334701125e-01 4.20 -2.145120774e-01 -2.145120774e-01 4.22 -1.974172968e-01 -1.974172968e-01 4.24 -1.819890561e-01 -1.819890561e-01 4.26 -1.680512101e-01 -1.680512101e-01 4.28 -1.554473436e-01 -1.554473436e-01 4.30 -1.440392352e-01 -1.440392352e-01 4.32 -1.337048504e-01 -1.337048504e-01 4.34 -1.243361053e-01 -1.243361053e-01 4.36 -1.158366380e-01 -1.158366380e-01 4.38 -1.081197845e-01 -1.081197845e-01 4.40 -1.011068994e-01 -1.011068994e-01 4.42 -9.472607673e-02 -9.472607673e-02 4.44 -8.891122539e-02 -8.891122539e-02 4.46 -8.360140767e-02 -8.360140767e-02 4.48 -7.874085757e-02 -7.874085757e-02 4.50 -7.427835439e-02 -7.427835439e-02 4.52 -7.016712217e-02 -7.016712217e-02 4.54 -6.636499966e-02 -6.636499966e-02 4.56 -6.283381134e-02 -6.283381134e-02 4.58 -5.953915723e-02 -5.953915723e-02 4.60 -5.645016860e-02 -5.645016860e-02 4.62 -5.353923340e-02 -5.353923340e-02 4.64 -5.078171897e-02 -5.078171897e-02 4.66 -4.815571274e-02 -4.815571274e-02 4.68 -4.564179684e-02 -4.564179684e-02 4.70 -4.322286988e-02 -4.322286988e-02 4.72 -4.088402380e-02 -4.088402380e-02 4.74 -3.861247893e-02 -3.861247893e-02 4.76 -3.639757524e-02 -3.639757524e-02 4.78 -3.423081183e-02 -3.423081183e-02 4.80 -3.210592252e-02 -3.210592252e-02 4.82 -3.001896073e-02 -3.001896073e-02 4.84 -2.796836823e-02 -2.796836823e-02 4.86 -2.595499688e-02 -2.595499688e-02 4.88 -2.398204547e-02 -2.398204547e-02 4.90 -2.205488152e-02 -2.205488152e-02 4.92 -2.018072662e-02 -2.018072662e-02 4.94 -1.836820100e-02 -1.836820100e-02 4.96 -1.662657720e-02 -1.662657720e-02 4.98 -1.496534613e-02 -1.496534613e-02 5.00 -1.339370622e-02 -1.339370622e-02 5.02 -1.191965258e-02 -1.191965258e-02 5.04 -1.054943795e-02 -1.054943795e-02 5.06 -9.287197095e-03 -9.287197095e-03 5.08 -8.134762282e-03 -8.134762282e-03 5.10 -7.091670474e-03 -7.091670474e-03 5.12 -6.155338484e-03 -6.155338484e-03 5.14 -5.321364799e-03 -5.321364799e-03 5.16 -4.583908833e-03 -4.583908833e-03 5.18 -3.936099314e-03 -3.936099314e-03 5.20 -3.370431106e-03 -3.370431106e-03 5.22 -2.879120955e-03 -2.879120955e-03 5.24 -2.454404581e-03 -2.454404581e-03 5.26 -2.088768131e-03 -2.088768131e-03 5.28 -1.775115083e-03 -1.775115083e-03 5.30 -1.506875095e-03 -1.506875095e-03 5.32 -1.278064124e-03 -1.278064124e-03 5.34 -1.083306063e-03 -1.083306063e-03 5.36 -9.178257844e-04 -9.178257844e-04 5.38 -7.774222589e-04 -7.774222589e-04 5.40 -6.584289714e-04 -6.584289714e-04 5.42 -5.576672475e-04 -5.576672475e-04 5.44 -4.723966993e-04 -4.723966993e-04 5.46 -4.002657581e-04 -4.002657581e-04 5.48 -3.392642746e-04 -3.392642746e-04 5.50 -2.876794034e-04 -2.876794034e-04 5.52 -2.440554237e-04 -2.440554237e-04 5.54 -2.071577457e-04 -2.071577457e-04 5.56 -1.759410838e-04 -1.759410838e-04 5.58 -1.495216016e-04 -1.495216016e-04 5.60 -1.271527343e-04 -1.271527343e-04 5.62 -1.082043431e-04 -1.082043431e-04 5.64 -9.214483790e-05 -9.214483790e-05 5.66 -7.852591425e-05 -7.852591425e-05 5.68 -6.696956777e-05 -6.696956777e-05 5.70 -5.715707803e-05 -5.715707803e-05 5.72 -4.881968490e-05 -4.881968490e-05 5.74 -4.173071180e-05 -4.173071180e-05 5.76 -3.569892087e-05 -3.569892087e-05 5.78 -3.056291365e-05 -3.056291365e-05 5.80 -2.618641679e-05 -2.618641679e-05 5.82 -2.245431514e-05 -2.245431514e-05 5.84 -1.926931511e-05 -1.926931511e-05 5.86 -1.654913884e-05 -1.654913884e-05 5.88 -1.422416476e-05 -1.422416476e-05 5.90 -1.223544361e-05 -1.223544361e-05 5.92 -1.053302982e-05 -1.053302982e-05 5.94 -9.074577782e-06 -9.074577782e-06 5.96 -7.824160625e-06 -7.824160625e-06 5.98 -6.751275816e-06 -6.751275816e-06 6.00 -5.830007680e-06 -5.830007680e-06