# 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 = CoZr3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.750764014e+02 nan nan 1.16 3.461361723e+02 nan nan 1.18 3.195037307e+02 nan nan 1.20 2.949770252e+02 nan nan 1.22 2.723742416e+02 nan nan 1.24 2.515316395e+02 nan nan 1.26 2.323013296e+02 nan nan 1.28 2.145487234e+02 3.269920133e+02 3.731959221e+02 1.30 1.981510564e+02 3.038110800e+02 3.473466297e+02 1.32 1.829970910e+02 2.823097371e+02 3.233430718e+02 1.34 1.689865562e+02 2.623545942e+02 3.010426561e+02 1.36 1.560288288e+02 2.438247916e+02 2.803153276e+02 1.38 1.440410036e+02 2.266114722e+02 2.610418041e+02 1.40 1.329466845e+02 2.106164153e+02 2.431124852e+02 1.42 1.226754646e+02 1.957495172e+02 2.264267702e+02 1.44 1.131626373e+02 1.819264978e+02 2.108920132e+02 1.46 1.043487378e+02 1.690683145e+02 1.964224155e+02 1.48 9.617936830e+01 1.571019307e+02 1.829383898e+02 1.50 8.860498902e+01 1.459607204e+02 1.703667319e+02 1.52 8.158027924e+01 1.355838639e+02 1.586406595e+02 1.54 7.506371230e+01 1.259153351e+02 1.476991606e+02 1.56 6.901732286e+01 1.169034603e+02 1.374863795e+02 1.58 6.340650386e+01 1.085010800e+02 1.279511433e+02 1.60 5.819957293e+01 1.006655018e+02 1.190465153e+02 1.62 5.336718059e+01 9.335779817e+01 1.107292561e+02 1.64 4.888208469e+01 8.654185615e+01 1.029591923e+02 1.66 4.471921034e+01 8.018368597e+01 9.569893213e+01 1.68 4.085558498e+01 7.425121634e+01 8.891395738e+01 1.70 3.726998034e+01 6.871454788e+01 8.257253775e+01 1.72 3.394242123e+01 6.354610391e+01 7.664534376e+01 1.74 3.085396924e+01 5.872059201e+01 7.110479147e+01 1.76 2.798679997e+01 5.421476359e+01 6.592469054e+01 1.78 2.532444771e+01 5.000718662e+01 6.108025778e+01 1.80 2.285193990e+01 4.607798617e+01 5.654849070e+01 1.82 2.055563872e+01 4.240862304e+01 5.230831686e+01 1.84 1.842296303e+01 3.898157332e+01 4.834052267e+01 1.86 1.644327357e+01 3.578031005e+01 4.462735906e+01 1.88 1.460620639e+01 3.278941947e+01 4.115225330e+01 1.90 1.290156545e+01 2.999478063e+01 3.789968945e+01 1.92 1.132047038e+01 2.738356951e+01 3.485512145e+01 1.94 9.854457391e+00 2.494409554e+01 3.200503087e+01 1.96 8.495842023e+00 2.266551679e+01 2.933687608e+01 1.98 7.237639726e+00 2.053766905e+01 2.683902185e+01 2.00 6.073406118e+00 1.855099619e+01 2.450063621e+01 2.02 4.997071234e+00 1.669703655e+01 2.231159007e+01 2.04 4.002853499e+00 1.496834537e+01 2.026242937e+01 2.06 3.085196715e+00 1.335695764e+01 1.834434461e+01 2.08 2.238773197e+00 1.185558356e+01 1.654974055e+01 2.10 1.458535374e+00 1.045724719e+01 1.487189745e+01 2.12 7.397715331e-01 9.155012868e+00 1.330364020e+01 2.14 7.813662582e-02 7.942344177e+00 1.183860953e+01 2.16 -5.303749592e-01 6.813179678e+00 1.047067886e+01 2.18 -1.089445074e+00 5.761954784e+00 9.193952300e+00 2.20 -1.602491328e+00 4.783586157e+00 8.002894100e+00 2.22 -2.072705890e+00 3.873379943e+00 6.892329012e+00 2.24 -2.503092887e+00 3.026959762e+00 5.857349013e+00 2.26 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-5.965656718e+00 -5.011365900e+00 -4.328811703e+00 2.64 -5.996202070e+00 -5.168952392e+00 -4.550195378e+00 2.66 -6.018024324e+00 -5.311199347e+00 -4.752160254e+00 2.68 -6.031649442e+00 -5.439054591e+00 -4.935805122e+00 2.70 -6.037608475e+00 -5.553408441e+00 -5.102151373e+00 2.72 -6.036465218e+00 -5.655106606e+00 -5.252159926e+00 2.74 -6.028804210e+00 -5.744956692e+00 -5.386751676e+00 2.76 -6.015216120e+00 -5.823728562e+00 -5.506828583e+00 2.78 -5.996280070e+00 -5.892146738e+00 -5.613291310e+00 2.80 -5.972552752e+00 -5.950900518e+00 -5.707054982e+00 2.82 -5.944335677e+00 -6.000615363e+00 -5.789044813e+00 2.84 -5.911699282e+00 -6.041870745e+00 -5.860189068e+00 2.86 -5.874686699e+00 -6.075214556e+00 -5.921394602e+00 2.88 -5.833392977e+00 -6.101237632e+00 -5.973517299e+00 2.90 -5.787935821e+00 -6.120342227e+00 -6.017334773e+00 2.92 -5.738457941e+00 -6.132906562e+00 -6.053529246e+00 2.94 -5.685122942e+00 -6.139232213e+00 -6.082684358e+00 2.96 -5.628094930e+00 -6.139626501e+00 -6.105339775e+00 2.98 -5.567548154e+00 -6.134406208e+00 -6.122047312e+00 3.00 -5.503661509e+00 -6.123894437e+00 -6.133034961e+00 3.02 -5.436589920e+00 -6.108416694e+00 -6.138523914e+00 3.04 -5.366478842e+00 -6.088285697e+00 -6.138742351e+00 3.06 -5.293491316e+00 -6.063688549e+00 -6.133930617e+00 3.08 -5.217806669e+00 -6.034696532e+00 -6.124344384e+00 3.10 -5.139618791e+00 -6.001383155e+00 -6.110256245e+00 3.12 -5.059134213e+00 -5.963735739e+00 -6.091955750e+00 3.14 -4.976569225e+00 -5.921798335e+00 -6.069741703e+00 3.16 -4.892145330e+00 -5.875643845e+00 -6.043763780e+00 3.18 -4.806082823e+00 -5.825393340e+00 -6.014042989e+00 3.20 -4.718593243e+00 -5.771206727e+00 -5.980600972e+00 3.22 -4.629872503e+00 -5.713281086e+00 -5.943508501e+00 3.24 -4.540096995e+00 -5.651850295e+00 -5.902862183e+00 3.26 -4.449424598e+00 -5.587184995e+00 -5.858779265e+00 3.28 -4.358001212e+00 -5.519574714e+00 -5.811385870e+00 3.30 -4.265971827e+00 -5.449311220e+00 -5.760811602e+00 3.32 -4.173493611e+00 -5.376713812e+00 -5.707187270e+00 3.34 -4.080743835e+00 -5.302117211e+00 -5.650644482e+00 3.36 -3.987942791e+00 -5.225852082e+00 -5.591314434e+00 3.38 -3.895327826e+00 -5.148226277e+00 -5.529306669e+00 3.40 -3.803162821e+00 -5.069508726e+00 -5.464717408e+00 3.42 -3.711715341e+00 -4.989930427e+00 -5.397650608e+00 3.44 -3.621250216e+00 -4.909671350e+00 -5.328217357e+00 3.46 -3.531994173e+00 -4.828874849e+00 -5.256535012e+00 3.48 -3.444137431e+00 -4.747653208e+00 -5.182726952e+00 3.50 -3.357820625e+00 -4.666096063e+00 -5.106915039e+00 3.52 -3.273155168e+00 -4.584277657e+00 -5.029255855e+00 3.54 -3.190198060e+00 -4.502262208e+00 -4.949889126e+00 3.56 -3.108980663e+00 -4.420107356e+00 -4.868980323e+00 3.58 -3.029510125e+00 -4.337866046e+00 -4.786714674e+00 3.60 -2.951775795e+00 -4.255587382e+00 -4.703300748e+00 3.62 -2.875754546e+00 -4.173316958e+00 -4.618971799e+00 3.64 -2.801415069e+00 -4.091097115e+00 -4.533983403e+00 3.66 -2.728721265e+00 -4.008967485e+00 -4.448606496e+00 3.68 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-5.866060140e-02 -1.795758653e-01 -2.605107916e-01 5.82 -5.597938006e-02 -1.735621399e-01 -2.526266116e-01 5.84 -5.343641548e-02 -1.677378208e-01 -2.448838437e-01 5.86 -5.102504849e-02 -1.620846678e-01 -2.372713028e-01 5.88 -4.873765178e-02 -1.565852108e-01 -2.297776878e-01 5.90 -4.656574326e-02 -1.512228184e-01 -2.223916275e-01 5.92 -4.450046627e-02 -1.459817438e-01 -2.151017449e-01 5.94 -4.253280200e-02 -1.408471571e-01 -2.078967457e-01 5.96 -4.065365702e-02 -1.358051781e-01 -2.007655323e-01 5.98 -3.885407612e-02 -1.308429153e-01 -1.936973484e-01 6.00 -3.712542302e-02 -1.259485213e-01 -1.866819556e-01