# 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 = AgMoTa2 # 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 3.676459100e+02 3.676459100e+02 1.30 3.409415604e+02 3.409415604e+02 1.32 3.162202555e+02 3.162202555e+02 1.34 2.933197776e+02 2.933197776e+02 1.36 2.720919490e+02 2.720919490e+02 1.38 2.524015803e+02 2.524015803e+02 1.40 2.341257380e+02 2.341257380e+02 1.42 2.171531069e+02 2.171531069e+02 1.44 2.013829056e+02 2.013829056e+02 1.46 1.867232977e+02 1.867232977e+02 1.48 1.730897914e+02 1.730897914e+02 1.50 1.604041309e+02 1.604041309e+02 1.52 1.485938684e+02 1.485938684e+02 1.54 1.375925068e+02 1.375925068e+02 1.56 1.273398799e+02 1.273398799e+02 1.58 1.177822986e+02 1.177822986e+02 1.60 1.088721028e+02 1.088721028e+02 1.62 1.005666323e+02 1.005666323e+02 1.64 9.282697181e+01 9.282697181e+01 1.66 8.561687928e+01 8.561687928e+01 1.68 7.890210607e+01 7.890210607e+01 1.70 7.265008259e+01 7.265008259e+01 1.72 6.682981632e+01 6.682981632e+01 1.74 6.141186116e+01 6.141186116e+01 1.76 5.636830102e+01 5.636830102e+01 1.78 5.167276463e+01 5.167276463e+01 1.80 4.730049845e+01 4.730049845e+01 1.82 4.322848068e+01 4.322848068e+01 1.84 3.943551197e+01 3.943551197e+01 1.86 3.590225559e+01 3.590225559e+01 1.88 3.261733395e+01 3.261733395e+01 1.90 2.956827823e+01 2.956827823e+01 1.92 2.673950987e+01 2.673950987e+01 1.94 2.411823161e+01 2.411823161e+01 1.96 2.169140682e+01 2.169140682e+01 1.98 1.944537070e+01 1.944537070e+01 2.00 1.736674409e+01 1.736674409e+01 2.02 1.544275588e+01 1.544275588e+01 2.04 1.366137250e+01 1.366137250e+01 2.06 1.201143885e+01 1.201143885e+01 2.08 1.048277505e+01 1.048277505e+01 2.10 9.066198568e+00 9.066198568e+00 2.12 7.753476798e+00 7.753476798e+00 2.14 6.537238208e+00 6.537238208e+00 2.16 5.410870436e+00 5.410870436e+00 2.18 4.368420823e+00 4.368420823e+00 2.20 3.404501430e+00 3.404501430e+00 2.22 2.514194679e+00 2.514194679e+00 2.24 1.692957257e+00 1.692957257e+00 2.26 9.365248025e-01 9.365248025e-01 2.28 2.408246432e-01 2.408246432e-01 2.30 -3.980936565e-01 -3.980936565e-01 2.32 -9.841005975e-01 -9.841005975e-01 2.34 -1.520996009e+00 -1.520996009e+00 2.36 -2.012485566e+00 -2.012485566e+00 2.38 -2.462132363e+00 -2.462132363e+00 2.40 -2.873297634e+00 -2.873297634e+00 2.42 -3.249087021e+00 -3.249087021e+00 2.44 -3.592315773e+00 -3.592315773e+00 2.46 -3.905499292e+00 -3.905499292e+00 2.48 -4.190867669e+00 -4.190867669e+00 2.50 -4.450397255e+00 -4.450397255e+00 2.52 -4.685850482e+00 -4.685850482e+00 2.54 -4.898816341e+00 -4.898816341e+00 2.56 -5.090746520e+00 -5.090746520e+00 2.58 -5.262837678e+00 -5.262837678e+00 2.60 -5.416345742e+00 -5.416345742e+00 2.62 -5.552641808e+00 -5.552641808e+00 2.64 -5.672990384e+00 -5.672990384e+00 2.66 -5.778555775e+00 -5.778555775e+00 2.68 -5.870404544e+00 -5.870404544e+00 2.70 -5.949507564e+00 -5.949507564e+00 2.72 -6.016743783e+00 -6.016743783e+00 2.74 -6.072864112e+00 -6.072864112e+00 2.76 -6.118212189e+00 -6.118212189e+00 2.78 -6.152983398e+00 -6.152983398e+00 2.80 -6.177543648e+00 -6.177543648e+00 2.82 -6.192264477e+00 -6.192264477e+00 2.84 -6.197510942e+00 -6.197510942e+00 2.86 -6.193639958e+00 -6.193639958e+00 2.88 -6.181000306e+00 -6.181000306e+00 2.90 -6.159933469e+00 -6.159933469e+00 2.92 -6.130774452e+00 -6.130774452e+00 2.94 -6.093849316e+00 -6.093849316e+00 2.96 -6.049399576e+00 -6.049399576e+00 2.98 -5.997586394e+00 -5.997586394e+00 3.00 -5.938581608e+00 -5.938581608e+00 3.02 -5.872565449e+00 -5.872565449e+00 3.04 -5.799719350e+00 -5.799719350e+00 3.06 -5.720220305e+00 -5.720220305e+00 3.08 -5.634237551e+00 -5.634237551e+00 3.10 -5.541932341e+00 -5.541932341e+00 3.12 -5.443461348e+00 -5.443461348e+00 3.14 -5.338984022e+00 -5.338984022e+00 3.16 -5.228737918e+00 -5.228737918e+00 3.18 -5.112954965e+00 -5.112954965e+00 3.20 -4.991764503e+00 -4.991764503e+00 3.22 -4.865389862e+00 -4.865389862e+00 3.24 -4.734157387e+00 -4.734157387e+00 3.26 -4.598500293e+00 -4.598500293e+00 3.28 -4.458958352e+00 -4.458958352e+00 3.30 -4.316171714e+00 -4.316171714e+00 3.32 -4.170869249e+00 -4.170869249e+00 3.34 -4.023853221e+00 -4.023853221e+00 3.36 -3.875967418e+00 -3.875967418e+00 3.38 -3.728065176e+00 -3.728065176e+00 3.40 -3.580977921e+00 -3.580977921e+00 3.42 -3.435484450e+00 -3.435484450e+00 3.44 -3.292283369e+00 -3.292283369e+00 3.46 -3.151970587e+00 -3.151970587e+00 3.48 -3.015023188e+00 -3.015023188e+00 3.50 -2.881790384e+00 -2.881790384e+00 3.52 -2.752491719e+00 -2.752491719e+00 3.54 -2.627222223e+00 -2.627222223e+00 3.56 -2.505963818e+00 -2.505963818e+00 3.58 -2.388601984e+00 -2.388601984e+00 3.60 -2.274946457e+00 -2.274946457e+00 3.62 -2.164754588e+00 -2.164754588e+00 3.64 -2.057755970e+00 -2.057755970e+00 3.66 -1.953676950e+00 -1.953676950e+00 3.68 -1.852263703e+00 -1.852263703e+00 3.70 -1.753302683e+00 -1.753302683e+00 3.72 -1.656637345e+00 -1.656637345e+00 3.74 -1.562180189e+00 -1.562180189e+00 3.76 -1.469919377e+00 -1.469919377e+00 3.78 -1.379919427e+00 -1.379919427e+00 3.80 -1.292315885e+00 -1.292315885e+00 3.82 -1.207304331e+00 -1.207304331e+00 3.84 -1.125124588e+00 -1.125124588e+00 3.86 -1.046041530e+00 -1.046041530e+00 3.88 -9.703242261e-01 -9.703242261e-01 3.90 -8.982253702e-01 -8.982253702e-01 3.92 -8.299628442e-01 -8.299628442e-01 3.94 -7.657049545e-01 -7.657049545e-01 3.96 -7.055603477e-01 -7.055603477e-01 3.98 -6.495730177e-01 -6.495730177e-01 4.00 -5.977222035e-01 -5.977222035e-01 4.02 -5.499265021e-01 -5.499265021e-01 4.04 -5.060512029e-01 -5.060512029e-01 4.06 -4.659177190e-01 -4.659177190e-01 4.08 -4.293140265e-01 -4.293140265e-01 4.10 -3.960051703e-01 -3.960051703e-01 4.12 -3.657431271e-01 -3.657431271e-01 4.14 -3.382755142e-01 -3.382755142e-01 4.16 -3.133529091e-01 -3.133529091e-01 4.18 -2.907346598e-01 -2.907346598e-01 4.20 -2.701932294e-01 -2.701932294e-01 4.22 -2.515171864e-01 -2.515171864e-01 4.24 -2.345129973e-01 -2.345129973e-01 4.26 -2.190057938e-01 -2.190057938e-01 4.28 -2.048392867e-01 -2.048392867e-01 4.30 -1.918749956e-01 -1.918749956e-01 4.32 -1.799909569e-01 -1.799909569e-01 4.34 -1.690800682e-01 -1.690800682e-01 4.36 -1.590482273e-01 -1.590482273e-01 4.38 -1.498124097e-01 -1.498124097e-01 4.40 -1.412988216e-01 -1.412988216e-01 4.42 -1.334412424e-01 -1.334412424e-01 4.44 -1.261795628e-01 -1.261795628e-01 4.46 -1.194585224e-01 -1.194585224e-01 4.48 -1.132274800e-01 -1.132274800e-01 4.50 -1.074393815e-01 -1.074393815e-01 4.52 -1.020503571e-01 -1.020503571e-01 4.54 -9.701952460e-02 -9.701952460e-02 4.56 -9.230864836e-02 -9.230864836e-02 4.58 -8.788265165e-02 -8.788265165e-02 4.60 -8.370928540e-02 -8.370928540e-02 4.62 -7.975889222e-02 -7.975889222e-02 4.64 -7.600437121e-02 -7.600437121e-02 4.66 -7.242111564e-02 -7.242111564e-02 4.68 -6.898693544e-02 -6.898693544e-02 4.70 -6.568197641e-02 -6.568197641e-02 4.72 -6.248864713e-02 -6.248864713e-02 4.74 -5.939156210e-02 -5.939156210e-02 4.76 -5.637750607e-02 -5.637750607e-02 4.78 -5.343542160e-02 -5.343542160e-02 4.80 -5.055641530e-02 -5.055641530e-02 4.82 -4.773377852e-02 -4.773377852e-02 4.84 -4.496300522e-02 -4.496300522e-02 4.86 -4.224180251e-02 -4.224180251e-02 4.88 -3.957006569e-02 -3.957006569e-02 4.90 -3.694980428e-02 -3.694980428e-02 4.92 -3.438500048e-02 -3.438500048e-02 4.94 -3.188139002e-02 -3.188139002e-02 4.96 -2.944615661e-02 -2.944615661e-02 4.98 -2.708753995e-02 -2.708753995e-02 5.00 -2.481437857e-02 -2.481437857e-02 5.02 -2.263560986e-02 -2.263560986e-02 5.04 -2.055976002e-02 -2.055976002e-02 5.06 -1.859446146e-02 -1.859446146e-02 5.08 -1.674592279e-02 -1.674592279e-02 5.10 -1.501862657e-02 -1.501862657e-02 5.12 -1.341556718e-02 -1.341556718e-02 5.14 -1.193778180e-02 -1.193778180e-02 5.16 -1.058437126e-02 -1.058437126e-02 5.18 -9.352645484e-03 -9.352645484e-03 5.20 -8.238349234e-03 -8.238349234e-03 5.22 -7.235940003e-03 -7.235940003e-03 5.24 -6.338890505e-03 -6.338890505e-03 5.26 -5.539991224e-03 -5.539991224e-03 5.28 -4.831633760e-03 -4.831633760e-03 5.30 -4.206061583e-03 -4.206061583e-03 5.32 -3.655580509e-03 -3.655580509e-03 5.34 -3.172726160e-03 -3.172726160e-03 5.36 -2.750389430e-03 -2.750389430e-03 5.38 -2.381903598e-03 -2.381903598e-03 5.40 -2.061098223e-03 -2.061098223e-03 5.42 -1.782325621e-03 -1.782325621e-03 5.44 -1.540465694e-03 -1.540465694e-03 5.46 -1.330914478e-03 -1.330914478e-03 5.48 -1.149561076e-03 -1.149561076e-03 5.50 -9.927569145e-04 -9.927569145e-04 5.52 -8.572804437e-04 -8.572804437e-04 5.54 -7.402997361e-04 -7.402997361e-04 5.56 -6.393347774e-04 -6.393347774e-04 5.58 -5.522207424e-04 -5.522207424e-04 5.60 -4.770731207e-04 -4.770731207e-04 5.62 -4.122552295e-04 -4.122552295e-04 5.64 -3.563484010e-04 -3.563484010e-04 5.66 -3.081249521e-04 -3.081249521e-04 5.68 -2.665239132e-04 -2.665239132e-04 5.70 -2.306294076e-04 -2.306294076e-04 5.72 -1.996515191e-04 -1.996515191e-04 5.74 -1.729094532e-04 -1.729094532e-04 5.76 -1.498167844e-04 -1.498167844e-04 5.78 -1.298685800e-04 -1.298685800e-04 5.80 -1.126301987e-04 -1.126301987e-04 5.82 -9.772756948e-05 -9.772756948e-05 5.84 -8.483877686e-05 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