# 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 = AuMo2W # 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 3.858761492e+02 3.858761492e+02 1.30 3.572968586e+02 3.572968586e+02 1.32 3.308518380e+02 3.308518380e+02 1.34 3.063689480e+02 3.063689480e+02 1.36 2.836937313e+02 2.836937313e+02 1.38 2.626856139e+02 2.626856139e+02 1.40 2.432145807e+02 2.432145807e+02 1.42 2.251592043e+02 2.251592043e+02 1.44 2.084062285e+02 2.084062285e+02 1.46 1.928510889e+02 1.928510889e+02 1.48 1.783986049e+02 1.783986049e+02 1.50 1.649633594e+02 1.649633594e+02 1.52 1.524695106e+02 1.524695106e+02 1.54 1.408499639e+02 1.408499639e+02 1.56 1.300450180e+02 1.300450180e+02 1.58 1.200007219e+02 1.200007219e+02 1.60 1.106672324e+02 1.106672324e+02 1.62 1.019974250e+02 1.019974250e+02 1.64 9.394595762e+01 9.394595762e+01 1.66 8.646889833e+01 8.646889833e+01 1.68 7.952390151e+01 7.952390151e+01 1.70 7.307074918e+01 7.307074918e+01 1.72 6.707196520e+01 6.707196520e+01 1.74 6.149323281e+01 6.149323281e+01 1.76 5.630348373e+01 5.630348373e+01 1.78 5.147468525e+01 5.147468525e+01 1.80 4.698145742e+01 4.698145742e+01 1.82 4.280067874e+01 4.280067874e+01 1.84 3.891122801e+01 3.891122801e+01 1.86 3.529429749e+01 3.529429749e+01 1.88 3.193692859e+01 3.193692859e+01 1.90 2.883510348e+01 2.883510348e+01 1.92 2.597196730e+01 2.597196730e+01 1.94 2.333043114e+01 2.333043114e+01 1.96 2.089452724e+01 2.089452724e+01 1.98 1.864927346e+01 1.864927346e+01 2.00 1.658057134e+01 1.658057134e+01 2.02 1.467511457e+01 1.467511457e+01 2.04 1.292029475e+01 1.292029475e+01 2.06 1.130411289e+01 1.130411289e+01 2.08 9.815122366e+00 9.815122366e+00 2.10 8.442430690e+00 8.442430690e+00 2.12 7.175770195e+00 7.175770195e+00 2.14 6.005620095e+00 6.005620095e+00 2.16 4.923338632e+00 4.923338632e+00 2.18 3.921257861e+00 3.921257861e+00 2.20 2.992707647e+00 2.992707647e+00 2.22 2.131961149e+00 2.131961149e+00 2.24 1.334118143e+00 1.334118143e+00 2.26 5.949553376e-01 5.949553376e-01 2.28 -8.922698199e-02 -8.922698199e-02 2.30 -7.217406005e-01 -7.217406005e-01 2.32 -1.305616477e+00 -1.305616477e+00 2.34 -1.843681298e+00 -1.843681298e+00 2.36 -2.338607135e+00 -2.338607135e+00 2.38 -2.792940230e+00 -2.792940230e+00 2.40 -3.209115122e+00 -3.209115122e+00 2.42 -3.589459315e+00 -3.589459315e+00 2.44 -3.936192309e+00 -3.936192309e+00 2.46 -4.251421593e+00 -4.251421593e+00 2.48 -4.537135612e+00 -4.537135612e+00 2.50 -4.795133678e+00 -4.795133678e+00 2.52 -5.027178817e+00 -5.027178817e+00 2.54 -5.234953936e+00 -5.234953936e+00 2.56 -5.420007126e+00 -5.420007126e+00 2.58 -5.583759953e+00 -5.583759953e+00 2.60 -5.727517697e+00 -5.727517697e+00 2.62 -5.852479833e+00 -5.852479833e+00 2.64 -5.959749897e+00 -5.959749897e+00 2.66 -6.050334592e+00 -6.050334592e+00 2.68 -6.124926903e+00 -6.124926903e+00 2.70 -6.183980657e+00 -6.183980657e+00 2.72 -6.228403607e+00 -6.228403607e+00 2.74 -6.259103391e+00 -6.259103391e+00 2.76 -6.276957395e+00 -6.276957395e+00 2.78 -6.282818960e+00 -6.282818960e+00 2.80 -6.277520345e+00 -6.277520345e+00 2.82 -6.261873343e+00 -6.261873343e+00 2.84 -6.236476636e+00 -6.236476636e+00 2.86 -6.201429143e+00 -6.201429143e+00 2.88 -6.156821557e+00 -6.156821557e+00 2.90 -6.102848540e+00 -6.102848540e+00 2.92 -6.039858921e+00 -6.039858921e+00 2.94 -5.968065707e+00 -5.968065707e+00 2.96 -5.887750163e+00 -5.887750163e+00 2.98 -5.799295703e+00 -5.799295703e+00 3.00 -5.703173464e+00 -5.703173464e+00 3.02 -5.599919920e+00 -5.599919920e+00 3.04 -5.490095589e+00 -5.490095589e+00 3.06 -5.374256840e+00 -5.374256840e+00 3.08 -5.252940786e+00 -5.252940786e+00 3.10 -5.126638147e+00 -5.126638147e+00 3.12 -4.995772496e+00 -4.995772496e+00 3.14 -4.860689019e+00 -4.860689019e+00 3.16 -4.721653540e+00 -4.721653540e+00 3.18 -4.578861220e+00 -4.578861220e+00 3.20 -4.432453302e+00 -4.432453302e+00 3.22 -4.282539795e+00 -4.282539795e+00 3.24 -4.129225980e+00 -4.129225980e+00 3.26 -3.972640808e+00 -3.972640808e+00 3.28 -3.812965498e+00 -3.812965498e+00 3.30 -3.650460670e+00 -3.650460670e+00 3.32 -3.485490301e+00 -3.485490301e+00 3.34 -3.318540518e+00 -3.318540518e+00 3.36 -3.150231143e+00 -3.150231143e+00 3.38 -2.981317924e+00 -2.981317924e+00 3.40 -2.812683846e+00 -2.812683846e+00 3.42 -2.645318726e+00 -2.645318726e+00 3.44 -2.480287556e+00 -2.480287556e+00 3.46 -2.318689506e+00 -2.318689506e+00 3.48 -2.161610871e+00 -2.161610871e+00 3.50 -2.010076280e+00 -2.010076280e+00 3.52 -1.865002918e+00 -1.865002918e+00 3.54 -1.727162138e+00 -1.727162138e+00 3.56 -1.597151849e+00 -1.597151849e+00 3.58 -1.475381563e+00 -1.475381563e+00 3.60 -1.362070319e+00 -1.362070319e+00 3.62 -1.257256215e+00 -1.257256215e+00 3.64 -1.160815184e+00 -1.160815184e+00 3.66 -1.072486041e+00 -1.072486041e+00 3.68 -9.918988030e-01 -9.918988030e-01 3.70 -9.186035419e-01 -9.186035419e-01 3.72 -8.520976555e-01 -8.520976555e-01 3.74 -7.918500742e-01 -7.918500742e-01 3.76 -7.373215840e-01 -7.373215840e-01 3.78 -6.879809818e-01 -6.879809818e-01 3.80 -6.433171885e-01 -6.433171885e-01 3.82 -6.028477102e-01 -6.028477102e-01 3.84 -5.661239832e-01 -5.661239832e-01 3.86 -5.327341880e-01 -5.327341880e-01 3.88 -5.023041043e-01 -5.023041043e-01 3.90 -4.744965208e-01 -4.744965208e-01 3.92 -4.490096413e-01 -4.490096413e-01 3.94 -4.255748469e-01 -4.255748469e-01 3.96 -4.039540935e-01 -4.039540935e-01 3.98 -3.839371643e-01 -3.839371643e-01 4.00 -3.653389267e-01 -3.653389267e-01 4.02 -3.479967080e-01 -3.479967080e-01 4.04 -3.317678597e-01 -3.317678597e-01 4.06 -3.165274619e-01 -3.165274619e-01 4.08 -3.021663956e-01 -3.021663956e-01 4.10 -2.885900660e-01 -2.885900660e-01 4.12 -2.757165206e-01 -2.757165206e-01 4.14 -2.634752417e-01 -2.634752417e-01 4.16 -2.518061534e-01 -2.518061534e-01 4.18 -2.406587507e-01 -2.406587507e-01 4.20 -2.299913141e-01 -2.299913141e-01 4.22 -2.197701492e-01 -2.197701492e-01 4.24 -2.099687960e-01 -2.099687960e-01 4.26 -2.005671555e-01 -2.005671555e-01 4.28 -1.915505016e-01 -1.915505016e-01 4.30 -1.829083696e-01 -1.829083696e-01 4.32 -1.746333445e-01 -1.746333445e-01 4.34 -1.667198051e-01 -1.667198051e-01 4.36 -1.591627035e-01 -1.591627035e-01 4.38 -1.519564691e-01 -1.519564691e-01 4.40 -1.450941208e-01 -1.450941208e-01 4.42 -1.385666481e-01 -1.385666481e-01 4.44 -1.323626864e-01 -1.323626864e-01 4.46 -1.264684756e-01 -1.264684756e-01 4.48 -1.208679659e-01 -1.208679659e-01 4.50 -1.155432349e-01 -1.155432349e-01 4.52 -1.104753306e-01 -1.104753306e-01 4.54 -1.056444021e-01 -1.056444021e-01 4.56 -1.010302121e-01 -1.010302121e-01 4.58 -9.661261175e-02 -9.661261175e-02 4.60 -9.237193710e-02 -9.237193710e-02 4.62 -8.828932450e-02 -8.828932450e-02 4.64 -8.434695297e-02 -8.434695297e-02 4.66 -8.052822766e-02 -8.052822766e-02 4.68 -7.681792144e-02 -7.681792144e-02 4.70 -7.320229100e-02 -7.320229100e-02 4.72 -6.966918166e-02 -6.966918166e-02 4.74 -6.620813105e-02 -6.620813105e-02 4.76 -6.281047724e-02 -6.281047724e-02 4.78 -5.946947154e-02 -5.946947154e-02 4.80 -5.618039015e-02 -5.618039015e-02 4.82 -5.294063698e-02 -5.294063698e-02 4.84 -4.974981377e-02 -4.974981377e-02 4.86 -4.660975217e-02 -4.660975217e-02 4.88 -4.352447718e-02 -4.352447718e-02 4.90 -4.050008253e-02 -4.050008253e-02 4.92 -3.754450844e-02 -3.754450844e-02 4.94 -3.466721291e-02 -3.466721291e-02 4.96 -3.187874264e-02 -3.187874264e-02 4.98 -2.919021047e-02 -2.919021047e-02 5.00 -2.661272766e-02 -2.661272766e-02 5.02 -2.415681928e-02 -2.415681928e-02 5.04 -2.183186519e-02 -2.183186519e-02 5.06 -1.964561366e-02 -1.964561366e-02 5.08 -1.760380516e-02 -1.760380516e-02 5.10 -1.570970085e-02 -1.570970085e-02 5.12 -1.396434018e-02 -1.396434018e-02 5.14 -1.236679768e-02 -1.236679768e-02 5.16 -1.091394814e-02 -1.091394814e-02 5.18 -9.600748053e-03 -9.600748053e-03 5.20 -8.420580393e-03 -8.420580393e-03 5.22 -7.365627702e-03 -7.365627702e-03 5.24 -6.427243890e-03 -6.427243890e-03 5.26 -5.596301231e-03 -5.596301231e-03 5.28 -4.863496467e-03 -4.863496467e-03 5.30 -4.219606873e-03 -4.219606873e-03 5.32 -3.655693209e-03 -3.655693209e-03 5.34 -3.163251048e-03 -3.163251048e-03 5.36 -2.734315146e-03 -2.734315146e-03 5.38 -2.361523308e-03 -2.361523308e-03 5.40 -2.038146940e-03 -2.038146940e-03 5.42 -1.758095428e-03 -1.758095428e-03 5.44 -1.515900935e-03 -1.515900935e-03 5.46 -1.306689323e-03 -1.306689323e-03 5.48 -1.126141991e-03 -1.126141991e-03 5.50 -9.704524346e-04 -9.704524346e-04 5.52 -8.362804583e-04 -8.362804583e-04 5.54 -7.207062138e-04 -7.207062138e-04 5.56 -6.211855960e-04 -6.211855960e-04 5.58 -5.355080144e-04 -5.355080144e-04 5.60 -4.617571649e-04 -4.617571649e-04 5.62 -3.982751254e-04 -3.982751254e-04 5.64 -3.436298803e-04 -3.436298803e-04 5.66 -2.965862294e-04 -2.965862294e-04 5.68 -2.560799317e-04 -2.560799317e-04 5.70 -2.211948749e-04 -2.211948749e-04 5.72 -1.911430251e-04 -1.911430251e-04 5.74 -1.652468975e-04 -1.652468975e-04 5.76 -1.429242884e-04 -1.429242884e-04 5.78 -1.236750193e-04 -1.236750193e-04 5.80 -1.070694572e-04 -1.070694572e-04 5.82 -9.273859699e-05 -9.273859699e-05 5.84 -8.036550549e-05 -8.036550549e-05 5.86 -6.967795478e-05 -6.967795478e-05 5.88 -6.044208492e-05 -6.044208492e-05 5.90 -5.245695864e-05 -5.245695864e-05 5.92 -4.554988583e-05 -4.554988583e-05 5.94 -3.957241163e-05 -3.957241163e-05 5.96 -3.439687534e-05 -3.439687534e-05 5.98 -2.991346013e-05 -2.991346013e-05 6.00 -2.602766394e-05 -2.602766394e-05