# 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 = AgTi2Zr # 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 3.138132398e+02 3.138132398e+02 1.30 2.912332388e+02 2.912332388e+02 1.32 2.703152801e+02 2.703152801e+02 1.34 2.509260665e+02 2.509260665e+02 1.36 2.329433884e+02 2.329433884e+02 1.38 2.162563957e+02 2.162563957e+02 1.40 2.007647911e+02 2.007647911e+02 1.42 1.863772050e+02 1.863772050e+02 1.44 1.730098891e+02 1.730098891e+02 1.46 1.605861850e+02 1.605861850e+02 1.48 1.490361831e+02 1.490361831e+02 1.50 1.382959986e+02 1.382959986e+02 1.52 1.283067685e+02 1.283067685e+02 1.54 1.190137980e+02 1.190137980e+02 1.56 1.103662126e+02 1.103662126e+02 1.58 1.023170099e+02 1.023170099e+02 1.60 9.482303277e+01 9.482303277e+01 1.62 8.784466313e+01 8.784466313e+01 1.64 8.134536081e+01 8.134536081e+01 1.66 7.529118203e+01 7.529118203e+01 1.68 6.965039808e+01 6.965039808e+01 1.70 6.439338880e+01 6.439338880e+01 1.72 5.949272538e+01 5.949272538e+01 1.74 5.492327146e+01 5.492327146e+01 1.76 5.066207792e+01 5.066207792e+01 1.78 4.668810378e+01 4.668810378e+01 1.80 4.298189213e+01 4.298189213e+01 1.82 3.952535820e+01 3.952535820e+01 1.84 3.630162016e+01 3.630162016e+01 1.86 3.329494213e+01 3.329494213e+01 1.88 3.049102290e+01 3.049102290e+01 1.90 2.787669192e+01 2.787669192e+01 1.92 2.543971730e+01 2.543971730e+01 1.94 2.316934564e+01 2.316934564e+01 1.96 2.105482970e+01 2.105482970e+01 1.98 1.908583824e+01 1.908583824e+01 2.00 1.725274690e+01 1.725274690e+01 2.02 1.554659147e+01 1.554659147e+01 2.04 1.395899153e+01 1.395899153e+01 2.06 1.248207561e+01 1.248207561e+01 2.08 1.110843700e+01 1.110843700e+01 2.10 9.831129217e+00 9.831129217e+00 2.12 8.643682142e+00 8.643682142e+00 2.14 7.540104613e+00 7.540104613e+00 2.16 6.514874811e+00 6.514874811e+00 2.18 5.562897917e+00 5.562897917e+00 2.20 4.679450269e+00 4.679450269e+00 2.22 3.860103875e+00 3.860103875e+00 2.24 3.100670778e+00 3.100670778e+00 2.26 2.397178179e+00 2.397178179e+00 2.28 1.745867199e+00 1.745867199e+00 2.30 1.143226804e+00 1.143226804e+00 2.32 5.859925054e-01 5.859925054e-01 2.34 7.116779317e-02 7.116779317e-02 2.36 -4.040039535e-01 -4.040039535e-01 2.38 -8.420637168e-01 -8.420637168e-01 2.40 -1.245372286e+00 -1.245372286e+00 2.42 -1.616151225e+00 -1.616151225e+00 2.44 -1.956511403e+00 -1.956511403e+00 2.46 -2.268478492e+00 -2.268478492e+00 2.48 -2.554000602e+00 -2.554000602e+00 2.50 -2.814944407e+00 -2.814944407e+00 2.52 -3.053082761e+00 -3.053082761e+00 2.54 -3.270079061e+00 -3.270079061e+00 2.56 -3.467473906e+00 -3.467473906e+00 2.58 -3.646678799e+00 -3.646678799e+00 2.60 -3.808979074e+00 -3.808979074e+00 2.62 -3.955542790e+00 -3.955542790e+00 2.64 -4.087442678e+00 -4.087442678e+00 2.66 -4.205672280e+00 -4.205672280e+00 2.68 -4.311189461e+00 -4.311189461e+00 2.70 -4.404783329e+00 -4.404783329e+00 2.72 -4.487187228e+00 -4.487187228e+00 2.74 -4.559098130e+00 -4.559098130e+00 2.76 -4.621178712e+00 -4.621178712e+00 2.78 -4.674056639e+00 -4.674056639e+00 2.80 -4.718330699e+00 -4.718330699e+00 2.82 -4.754560714e+00 -4.754560714e+00 2.84 -4.783233197e+00 -4.783233197e+00 2.86 -4.804783567e+00 -4.804783567e+00 2.88 -4.819498598e+00 -4.819498598e+00 2.90 -4.827665695e+00 -4.827665695e+00 2.92 -4.829595532e+00 -4.829595532e+00 2.94 -4.825618745e+00 -4.825618745e+00 2.96 -4.816084107e+00 -4.816084107e+00 2.98 -4.801358003e+00 -4.801358003e+00 3.00 -4.781824095e+00 -4.781824095e+00 3.02 -4.757875670e+00 -4.757875670e+00 3.04 -4.729817229e+00 -4.729817229e+00 3.06 -4.697895288e+00 -4.697895288e+00 3.08 -4.662367014e+00 -4.662367014e+00 3.10 -4.623492747e+00 -4.623492747e+00 3.12 -4.581517326e+00 -4.581517326e+00 3.14 -4.536669784e+00 -4.536669784e+00 3.16 -4.489149005e+00 -4.489149005e+00 3.18 -4.439135694e+00 -4.439135694e+00 3.20 -4.386808926e+00 -4.386808926e+00 3.22 -4.332406201e+00 -4.332406201e+00 3.24 -4.276025542e+00 -4.276025542e+00 3.26 -4.217756611e+00 -4.217756611e+00 3.28 -4.157713305e+00 -4.157713305e+00 3.30 -4.096031562e+00 -4.096031562e+00 3.32 -4.032864795e+00 -4.032864795e+00 3.34 -3.968377174e+00 -3.968377174e+00 3.36 -3.902735866e+00 -3.902735866e+00 3.38 -3.836103909e+00 -3.836103909e+00 3.40 -3.768636982e+00 -3.768636982e+00 3.42 -3.700485223e+00 -3.700485223e+00 3.44 -3.631783899e+00 -3.631783899e+00 3.46 -3.562660646e+00 -3.562660646e+00 3.48 -3.493238462e+00 -3.493238462e+00 3.50 -3.423639523e+00 -3.423639523e+00 3.52 -3.353987657e+00 -3.353987657e+00 3.54 -3.284408761e+00 -3.284408761e+00 3.56 -3.215028982e+00 -3.215028982e+00 3.58 -3.145970976e+00 -3.145970976e+00 3.60 -3.077349065e+00 -3.077349065e+00 3.62 -3.009264448e+00 -3.009264448e+00 3.64 -2.941801549e+00 -2.941801549e+00 3.66 -2.875026295e+00 -2.875026295e+00 3.68 -2.808986571e+00 -2.808986571e+00 3.70 -2.743714582e+00 -2.743714582e+00 3.72 -2.679230563e+00 -2.679230563e+00 3.74 -2.615547151e+00 -2.615547151e+00 3.76 -2.552673818e+00 -2.552673818e+00 3.78 -2.490620885e+00 -2.490620885e+00 3.80 -2.429402762e+00 -2.429402762e+00 3.82 -2.369040129e+00 -2.369040129e+00 3.84 -2.309560868e+00 -2.309560868e+00 3.86 -2.250999621e+00 -2.250999621e+00 3.88 -2.193396036e+00 -2.193396036e+00 3.90 -2.136791951e+00 -2.136791951e+00 3.92 -2.081226743e+00 -2.081226743e+00 3.94 -2.026739180e+00 -2.026739180e+00 3.96 -1.973356318e+00 -1.973356318e+00 3.98 -1.921097554e+00 -1.921097554e+00 4.00 -1.869972452e+00 -1.869972452e+00 4.02 -1.819981210e+00 -1.819981210e+00 4.04 -1.771115928e+00 -1.771115928e+00 4.06 -1.723362321e+00 -1.723362321e+00 4.08 -1.676701547e+00 -1.676701547e+00 4.10 -1.631107452e+00 -1.631107452e+00 4.12 -1.586566700e+00 -1.586566700e+00 4.14 -1.543050454e+00 -1.543050454e+00 4.16 -1.500535978e+00 -1.500535978e+00 4.18 -1.459001735e+00 -1.459001735e+00 4.20 -1.418427810e+00 -1.418427810e+00 4.22 -1.378796167e+00 -1.378796167e+00 4.24 -1.340090776e+00 -1.340090776e+00 4.26 -1.302297601e+00 -1.302297601e+00 4.28 -1.265404470e+00 -1.265404470e+00 4.30 -1.229400805e+00 -1.229400805e+00 4.32 -1.194277224e+00 -1.194277224e+00 4.34 -1.160025043e+00 -1.160025043e+00 4.36 -1.126635713e+00 -1.126635713e+00 4.38 -1.094100231e+00 -1.094100231e+00 4.40 -1.062408602e+00 -1.062408602e+00 4.42 -1.031549392e+00 -1.031549392e+00 4.44 -1.001509413e+00 -1.001509413e+00 4.46 -9.722735619e-01 -9.722735619e-01 4.48 -9.438248125e-01 -9.438248125e-01 4.50 -9.161443295e-01 -9.161443295e-01 4.52 -8.892116809e-01 -8.892116809e-01 4.54 -8.630051063e-01 -8.630051063e-01 4.56 -8.375018080e-01 -8.375018080e-01 4.58 -8.126782381e-01 -8.126782381e-01 4.60 -7.885103639e-01 -7.885103639e-01 4.62 -7.649739063e-01 -7.649739063e-01 4.64 -7.420445501e-01 -7.420445501e-01 4.66 -7.196981337e-01 -7.196981337e-01 4.68 -6.979108279e-01 -6.979108279e-01 4.70 -6.766593160e-01 -6.766593160e-01 4.72 -6.559209853e-01 -6.559209853e-01 4.74 -6.356741412e-01 -6.356741412e-01 4.76 -6.158982496e-01 -6.158982496e-01 4.78 -5.965742135e-01 -5.965742135e-01 4.80 -5.776815437e-01 -5.776815437e-01 4.82 -5.592117682e-01 -5.592117682e-01 4.84 -5.411482736e-01 -5.411482736e-01 4.86 -5.234809765e-01 -5.234809765e-01 4.88 -5.062028368e-01 -5.062028368e-01 4.90 -4.893100714e-01 -4.893100714e-01 4.92 -4.728022462e-01 -4.728022462e-01 4.94 -4.566822033e-01 -4.566822033e-01 4.96 -4.409557886e-01 -4.409557886e-01 4.98 -4.256313564e-01 -4.256313564e-01 5.00 -4.107190554e-01 -4.107190554e-01 5.02 -3.962299234e-01 -3.962299234e-01 5.04 -3.821748519e-01 -3.821748519e-01 5.06 -3.685635057e-01 -3.685635057e-01 5.08 -3.554032968e-01 -3.554032968e-01 5.10 -3.426985110e-01 -3.426985110e-01 5.12 -3.304496706e-01 -3.304496706e-01 5.14 -3.186531847e-01 -3.186531847e-01 5.16 -3.073013036e-01 -3.073013036e-01 5.18 -2.963823562e-01 -2.963823562e-01 5.20 -2.858812226e-01 -2.858812226e-01 5.22 -2.757799729e-01 -2.757799729e-01 5.24 -2.660586014e-01 -2.660586014e-01 5.26 -2.566957890e-01 -2.566957890e-01 5.28 -2.476696377e-01 -2.476696377e-01 5.30 -2.389583358e-01 -2.389583358e-01 5.32 -2.305407293e-01 -2.305407293e-01 5.34 -2.223967832e-01 -2.223967832e-01 5.36 -2.145079279e-01 -2.145079279e-01 5.38 -2.068572916e-01 -2.068572916e-01 5.40 -1.994298211e-01 -1.994298211e-01 5.42 -1.922123014e-01 -1.922123014e-01 5.44 -1.851932816e-01 -1.851932816e-01 5.46 -1.783629238e-01 -1.783629238e-01 5.48 -1.717127949e-01 -1.717127949e-01 5.50 -1.652356230e-01 -1.652356230e-01 5.52 -1.589250485e-01 -1.589250485e-01 5.54 -1.527753976e-01 -1.527753976e-01 5.56 -1.467815038e-01 -1.467815038e-01 5.58 -1.409385987e-01 -1.409385987e-01 5.60 -1.352422821e-01 -1.352422821e-01 5.62 -1.296885700e-01 -1.296885700e-01 5.64 -1.242740095e-01 -1.242740095e-01 5.66 -1.189958362e-01 -1.189958362e-01 5.68 -1.138521436e-01 -1.138521436e-01 5.70 -1.088420322e-01 -1.088420322e-01 5.72 -1.039657037e-01 -1.039657037e-01 5.74 -9.922447493e-02 -9.922447493e-02 5.76 -9.462069220e-02 -9.462069220e-02 5.78 -9.015754202e-02 -9.015754202e-02 5.80 -8.583876415e-02 -8.583876415e-02 5.82 -8.166828950e-02 -8.166828950e-02 5.84 -7.764983208e-02 -7.764983208e-02 5.86 -7.378647592e-02 -7.378647592e-02 5.88 -7.008029394e-02 -7.008029394e-02 5.90 -6.653203511e-02 -6.653203511e-02 5.92 -6.314085393e-02 -6.314085393e-02 5.94 -5.990409768e-02 -5.990409768e-02 5.96 -5.681766184e-02 -5.681766184e-02 5.98 -5.387614402e-02 -5.387614402e-02 6.00 -5.107275802e-02 -5.107275802e-02