# 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 = CoNiTa2 # 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 2.330124480e+02 2.330124480e+02 1.30 2.148991761e+02 2.148991761e+02 1.32 1.981710119e+02 1.981710119e+02 1.34 1.827112291e+02 1.827112291e+02 1.36 1.684170263e+02 1.684170263e+02 1.38 1.551973818e+02 1.551973818e+02 1.40 1.429707513e+02 1.429707513e+02 1.42 1.316631344e+02 1.316631344e+02 1.44 1.212062122e+02 1.212062122e+02 1.46 1.115356114e+02 1.115356114e+02 1.48 1.025896947e+02 1.025896947e+02 1.50 9.430911221e+01 9.430911221e+01 1.52 8.663718512e+01 8.663718512e+01 1.54 7.952101855e+01 7.952101855e+01 1.56 7.291283008e+01 7.291283008e+01 1.58 6.677076920e+01 6.677076920e+01 1.60 6.105884818e+01 6.105884818e+01 1.62 5.574615117e+01 5.574615117e+01 1.64 5.080572286e+01 5.080572286e+01 1.66 4.621346385e+01 4.621346385e+01 1.68 4.194722807e+01 4.194722807e+01 1.70 3.798620288e+01 3.798620288e+01 1.72 3.431055444e+01 3.431055444e+01 1.74 3.090128812e+01 3.090128812e+01 1.76 2.774028617e+01 2.774028617e+01 1.78 2.481046691e+01 2.481046691e+01 1.80 2.209595807e+01 2.209595807e+01 1.82 1.958661617e+01 1.958661617e+01 1.84 1.727492613e+01 1.727492613e+01 1.86 1.514779722e+01 1.514779722e+01 1.88 1.319286641e+01 1.319286641e+01 1.90 1.139874358e+01 1.139874358e+01 1.92 9.754191446e+00 9.754191446e+00 1.94 8.247705947e+00 8.247705947e+00 1.96 6.867909626e+00 6.867909626e+00 1.98 5.603685246e+00 5.603685246e+00 2.00 4.444409087e+00 4.444409087e+00 2.02 3.380233767e+00 3.380233767e+00 2.04 2.402349693e+00 2.402349693e+00 2.06 1.503148928e+00 1.503148928e+00 2.08 6.762440942e-01 6.762440942e-01 2.10 -8.365268468e-02 -8.365268468e-02 2.12 -7.809410384e-01 -7.809410384e-01 2.14 -1.419368952e+00 -1.419368952e+00 2.16 -2.002243734e+00 -2.002243734e+00 2.18 -2.532593735e+00 -2.532593735e+00 2.20 -3.013281566e+00 -3.013281566e+00 2.22 -3.447082071e+00 -3.447082071e+00 2.24 -3.836739098e+00 -3.836739098e+00 2.26 -4.185009934e+00 -4.185009934e+00 2.28 -4.494700378e+00 -4.494700378e+00 2.30 -4.768688029e+00 -4.768688029e+00 2.32 -5.009926166e+00 -5.009926166e+00 2.34 -5.221417946e+00 -5.221417946e+00 2.36 -5.406154823e+00 -5.406154823e+00 2.38 -5.567025238e+00 -5.567025238e+00 2.40 -5.706713611e+00 -5.706713611e+00 2.42 -5.827616022e+00 -5.827616022e+00 2.44 -5.931792971e+00 -5.931792971e+00 2.46 -6.020934281e+00 -6.020934281e+00 2.48 -6.096224440e+00 -6.096224440e+00 2.50 -6.159043061e+00 -6.159043061e+00 2.52 -6.210610214e+00 -6.210610214e+00 2.54 -6.251936279e+00 -6.251936279e+00 2.56 -6.283888645e+00 -6.283888645e+00 2.58 -6.307240652e+00 -6.307240652e+00 2.60 -6.322700151e+00 -6.322700151e+00 2.62 -6.330732332e+00 -6.330732332e+00 2.64 -6.331433531e+00 -6.331433531e+00 2.66 -6.324950463e+00 -6.324950463e+00 2.68 -6.311501111e+00 -6.311501111e+00 2.70 -6.291348473e+00 -6.291348473e+00 2.72 -6.264783121e+00 -6.264783121e+00 2.74 -6.232110147e+00 -6.232110147e+00 2.76 -6.193637431e+00 -6.193637431e+00 2.78 -6.149664437e+00 -6.149664437e+00 2.80 -6.100479766e+00 -6.100479766e+00 2.82 -6.046373183e+00 -6.046373183e+00 2.84 -5.987551609e+00 -5.987551609e+00 2.86 -5.924196118e+00 -5.924196118e+00 2.88 -5.856478226e+00 -5.856478226e+00 2.90 -5.784565313e+00 -5.784565313e+00 2.92 -5.708625573e+00 -5.708625573e+00 2.94 -5.628831412e+00 -5.628831412e+00 2.96 -5.545360839e+00 -5.545360839e+00 2.98 -5.458365689e+00 -5.458365689e+00 3.00 -5.367910573e+00 -5.367910573e+00 3.02 -5.274041702e+00 -5.274041702e+00 3.04 -5.176828493e+00 -5.176828493e+00 3.06 -5.076358861e+00 -5.076358861e+00 3.08 -4.972734155e+00 -4.972734155e+00 3.10 -4.866067183e+00 -4.866067183e+00 3.12 -4.756484117e+00 -4.756484117e+00 3.14 -4.644130478e+00 -4.644130478e+00 3.16 -4.529180589e+00 -4.529180589e+00 3.18 -4.411849104e+00 -4.411849104e+00 3.20 -4.292402694e+00 -4.292402694e+00 3.22 -4.171169753e+00 -4.171169753e+00 3.24 -4.048545951e+00 -4.048545951e+00 3.26 -3.924993797e+00 -3.924993797e+00 3.28 -3.801034902e+00 -3.801034902e+00 3.30 -3.677234524e+00 -3.677234524e+00 3.32 -3.554179101e+00 -3.554179101e+00 3.34 -3.432448640e+00 -3.432448640e+00 3.36 -3.312586833e+00 -3.312586833e+00 3.38 -3.195072317e+00 -3.195072317e+00 3.40 -3.080294386e+00 -3.080294386e+00 3.42 -2.968535805e+00 -2.968535805e+00 3.44 -2.859964233e+00 -2.859964233e+00 3.46 -2.754632489e+00 -2.754632489e+00 3.48 -2.652486737e+00 -2.652486737e+00 3.50 -2.553380897e+00 -2.553380897e+00 3.52 -2.457095201e+00 -2.457095201e+00 3.54 -2.363356875e+00 -2.363356875e+00 3.56 -2.271861213e+00 -2.271861213e+00 3.58 -2.182291802e+00 -2.182291802e+00 3.60 -2.094339075e+00 -2.094339075e+00 3.62 -2.007716812e+00 -2.007716812e+00 3.64 -1.922176417e+00 -1.922176417e+00 3.66 -1.837518965e+00 -1.837518965e+00 3.68 -1.753604970e+00 -1.753604970e+00 3.70 -1.670361775e+00 -1.670361775e+00 3.72 -1.587788282e+00 -1.587788282e+00 3.74 -1.505956671e+00 -1.505956671e+00 3.76 -1.425010688e+00 -1.425010688e+00 3.78 -1.345160162e+00 -1.345160162e+00 3.80 -1.266671608e+00 -1.266671608e+00 3.82 -1.189855101e+00 -1.189855101e+00 3.84 -1.115048018e+00 -1.115048018e+00 3.86 -1.042596620e+00 -1.042596620e+00 3.88 -9.728368389e-01 -9.728368389e-01 3.90 -9.060758012e-01 -9.060758012e-01 3.92 -8.425756258e-01 -8.425756258e-01 3.94 -7.825408112e-01 -7.825408112e-01 3.96 -7.261101027e-01 -7.261101027e-01 3.98 -6.733531951e-01 -6.733531951e-01 4.00 -6.242720626e-01 -6.242720626e-01 4.02 -5.788062341e-01 -5.788062341e-01 4.04 -5.368410149e-01 -5.368410149e-01 4.06 -4.982175299e-01 -4.982175299e-01 4.08 -4.627435073e-01 -4.627435073e-01 4.10 -4.302038995e-01 -4.302038995e-01 4.12 -4.003706726e-01 -4.003706726e-01 4.14 -3.730113406e-01 -3.730113406e-01 4.16 -3.478960509e-01 -3.478960509e-01 4.18 -3.248031771e-01 -3.248031771e-01 4.20 -3.035235019e-01 -3.035235019e-01 4.22 -2.838631263e-01 -2.838631263e-01 4.24 -2.656452746e-01 -2.656452746e-01 4.26 -2.487111715e-01 -2.487111715e-01 4.28 -2.329201690e-01 -2.329201690e-01 4.30 -2.181493005e-01 -2.181493005e-01 4.32 -2.042924321e-01 -2.042924321e-01 4.34 -1.912591719e-01 -1.912591719e-01 4.36 -1.789736647e-01 -1.789736647e-01 4.38 -1.673733512e-01 -1.673733512e-01 4.40 -1.564077165e-01 -1.564077165e-01 4.42 -1.460369938e-01 -1.460369938e-01 4.44 -1.362307449e-01 -1.362307449e-01 4.46 -1.269661457e-01 -1.269661457e-01 4.48 -1.182265988e-01 -1.182265988e-01 4.50 -1.099994594e-01 -1.099994594e-01 4.52 -1.022740700e-01 -1.022740700e-01 4.54 -9.504021075e-02 -9.504021075e-02 4.56 -8.828605141e-02 -8.828605141e-02 4.58 -8.199695239e-02 -8.199695239e-02 4.60 -7.615474984e-02 -7.615474984e-02 4.62 -7.073753743e-02 -7.073753743e-02 4.64 -6.571990565e-02 -6.571990565e-02 4.66 -6.107354795e-02 -6.107354795e-02 4.68 -5.676811576e-02 -5.676811576e-02 4.70 -5.277220281e-02 -5.277220281e-02 4.72 -4.905435185e-02 -4.905435185e-02 4.74 -4.558400515e-02 -4.558400515e-02 4.76 -4.233235522e-02 -4.233235522e-02 4.78 -3.927305913e-02 -3.927305913e-02 4.80 -3.638280772e-02 -3.638280772e-02 4.82 -3.364174583e-02 -3.364174583e-02 4.84 -3.103374400e-02 -3.103374400e-02 4.86 -2.854650823e-02 -2.854650823e-02 4.88 -2.617152478e-02 -2.617152478e-02 4.90 -2.390383449e-02 -2.390383449e-02 4.92 -2.174163335e-02 -2.174163335e-02 4.94 -1.968571036e-02 -1.968571036e-02 4.96 -1.773873890e-02 -1.773873890e-02 4.98 -1.590424906e-02 -1.590424906e-02 5.00 -1.418638821e-02 -1.418638821e-02 5.02 -1.258898201e-02 -1.258898201e-02 5.04 -1.111473379e-02 -1.111473379e-02 5.06 -9.764764398e-03 -9.764764398e-03 5.08 -8.538352232e-03 -8.538352232e-03 5.10 -7.432873992e-03 -7.432873992e-03 5.12 -6.443921786e-03 -6.443921786e-03 5.14 -5.565554635e-03 -5.565554635e-03 5.16 -4.790634362e-03 -4.790634362e-03 5.18 -4.111196776e-03 -4.111196776e-03 5.20 -3.518816710e-03 -3.518816710e-03 5.22 -3.004936706e-03 -3.004936706e-03 5.24 -2.561141137e-03 -2.561141137e-03 5.26 -2.179368203e-03 -2.179368203e-03 5.28 -1.852060407e-03 -1.852060407e-03 5.30 -1.572259544e-03 -1.572259544e-03 5.32 -1.333655145e-03 -1.333655145e-03 5.34 -1.130596307e-03 -1.130596307e-03 5.36 -9.580764777e-04 -9.580764777e-04 5.38 -8.116996552e-04 -8.116996552e-04 5.40 -6.876349844e-04 -6.876349844e-04 5.42 -5.825652046e-04 -5.825652046e-04 5.44 -4.936329999e-04 -4.936329999e-04 5.46 -4.183880947e-04 -4.183880947e-04 5.48 -3.547369692e-04 -3.547369692e-04 5.50 -3.008963221e-04 -3.008963221e-04 5.52 -2.553508566e-04 -2.553508566e-04 5.54 -2.168155787e-04 -2.168155787e-04 5.56 -1.842025335e-04 -1.842025335e-04 5.58 -1.565917426e-04 -1.565917426e-04 5.60 -1.332060108e-04 -1.332060108e-04 5.62 -1.133892245e-04 -1.133892245e-04 5.64 -9.658775452e-05 -9.658775452e-05 5.66 -8.233458629e-05 -8.233458629e-05 5.68 -7.023582220e-05 -7.023582220e-05 5.70 -5.995923402e-05 -5.995923402e-05 5.72 -5.122457481e-05 -5.122457481e-05 5.74 -4.379539452e-05 -4.379539452e-05 5.76 -3.747213503e-05 -3.747213503e-05 5.78 -3.208631104e-05 -3.208631104e-05 5.80 -2.749560971e-05 -2.749560971e-05 5.82 -2.357976635e-05 -2.357976635e-05 5.84 -2.023709433e-05 -2.023709433e-05 5.86 -1.738156625e-05 -1.738156625e-05 5.88 -1.494035867e-05 -1.494035867e-05 5.90 -1.285178680e-05 -1.285178680e-05 5.92 -1.106356680e-05 -1.106356680e-05 5.94 -9.531353457e-06 -9.531353457e-06 5.96 -8.217509117e-06 -8.217509117e-06 5.98 -7.090066888e-06 -7.090066888e-06 6.00 -6.121857113e-06 -6.121857113e-06