# 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 = MoPdPt2 # 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 3.934173604e+02 3.934173604e+02 1.30 3.669033234e+02 3.669033234e+02 1.32 3.421140725e+02 3.421140725e+02 1.34 3.189325573e+02 3.189325573e+02 1.36 2.972602345e+02 2.972602345e+02 1.38 2.770110338e+02 2.770110338e+02 1.40 2.581060502e+02 2.581060502e+02 1.42 2.404690542e+02 2.404690542e+02 1.44 2.240207356e+02 2.240207356e+02 1.46 2.086750795e+02 2.086750795e+02 1.48 1.943422551e+02 1.943422551e+02 1.50 1.809351787e+02 1.809351787e+02 1.52 1.683738264e+02 1.683738264e+02 1.54 1.565858473e+02 1.565858473e+02 1.56 1.455058999e+02 1.455058999e+02 1.58 1.350753992e+02 1.350753992e+02 1.60 1.252422985e+02 1.252422985e+02 1.62 1.159602422e+02 1.159602422e+02 1.64 1.071874186e+02 1.071874186e+02 1.66 9.888607172e+01 9.888607172e+01 1.68 9.102314221e+01 9.102314221e+01 1.70 8.357143374e+01 8.357143374e+01 1.72 7.651003018e+01 7.651003018e+01 1.74 6.982306924e+01 6.982306924e+01 1.76 6.349727259e+01 6.349727259e+01 1.78 5.752112333e+01 5.752112333e+01 1.80 5.191046003e+01 5.191046003e+01 1.82 4.675885466e+01 4.675885466e+01 1.84 4.204881371e+01 4.204881371e+01 1.86 3.774746023e+01 3.774746023e+01 1.88 3.382410731e+01 3.382410731e+01 1.90 3.024965181e+01 3.024965181e+01 1.92 2.699574266e+01 2.699574266e+01 1.94 2.403430770e+01 2.403430770e+01 1.96 2.133779162e+01 2.133779162e+01 1.98 1.887993699e+01 1.887993699e+01 2.00 1.663662222e+01 1.663662222e+01 2.02 1.458636640e+01 1.458636640e+01 2.04 1.271040435e+01 1.271040435e+01 2.06 1.099244870e+01 1.099244870e+01 2.08 9.418306921e+00 9.418306921e+00 2.10 7.975479312e+00 7.975479312e+00 2.12 6.652809831e+00 6.652809831e+00 2.14 5.440226837e+00 5.440226837e+00 2.16 4.328585534e+00 4.328585534e+00 2.18 3.309595775e+00 3.309595775e+00 2.20 2.375795817e+00 2.375795817e+00 2.22 1.520529634e+00 1.520529634e+00 2.24 7.379020222e-01 7.379020222e-01 2.26 2.270719271e-02 2.270719271e-02 2.28 -6.296604721e-01 -6.296604721e-01 2.30 -1.223302411e+00 -1.223302411e+00 2.32 -1.761910542e+00 -1.761910542e+00 2.34 -2.248856086e+00 -2.248856086e+00 2.36 -2.687270262e+00 -2.687270262e+00 2.38 -3.080115447e+00 -3.080115447e+00 2.40 -3.430246009e+00 -3.430246009e+00 2.42 -3.740458255e+00 -3.740458255e+00 2.44 -4.013528936e+00 -4.013528936e+00 2.46 -4.252241492e+00 -4.252241492e+00 2.48 -4.459398659e+00 -4.459398659e+00 2.50 -4.637818561e+00 -4.637818561e+00 2.52 -4.790309370e+00 -4.790309370e+00 2.54 -4.919617766e+00 -4.919617766e+00 2.56 -5.028340750e+00 -5.028340750e+00 2.58 -5.120074648e+00 -5.120074648e+00 2.60 -5.198193956e+00 -5.198193956e+00 2.62 -5.263862814e+00 -5.263862814e+00 2.64 -5.317991821e+00 -5.317991821e+00 2.66 -5.361267756e+00 -5.361267756e+00 2.68 -5.394202822e+00 -5.394202822e+00 2.70 -5.417191011e+00 -5.417191011e+00 2.72 -5.430557243e+00 -5.430557243e+00 2.74 -5.434586728e+00 -5.434586728e+00 2.76 -5.429470299e+00 -5.429470299e+00 2.78 -5.415362831e+00 -5.415362831e+00 2.80 -5.392456016e+00 -5.392456016e+00 2.82 -5.361042105e+00 -5.361042105e+00 2.84 -5.321726063e+00 -5.321726063e+00 2.86 -5.274717016e+00 -5.274717016e+00 2.88 -5.220229179e+00 -5.220229179e+00 2.90 -5.158581321e+00 -5.158581321e+00 2.92 -5.090210524e+00 -5.090210524e+00 2.94 -5.015678059e+00 -5.015678059e+00 2.96 -4.935661116e+00 -4.935661116e+00 2.98 -4.850952698e+00 -4.850952698e+00 3.00 -4.762438345e+00 -4.762438345e+00 3.02 -4.670979177e+00 -4.670979177e+00 3.04 -4.577350529e+00 -4.577350529e+00 3.06 -4.482200807e+00 -4.482200807e+00 3.08 -4.386029305e+00 -4.386029305e+00 3.10 -4.289184505e+00 -4.289184505e+00 3.12 -4.191879255e+00 -4.191879255e+00 3.14 -4.094216610e+00 -4.094216610e+00 3.16 -3.996219799e+00 -3.996219799e+00 3.18 -3.897861438e+00 -3.897861438e+00 3.20 -3.799089094e+00 -3.799089094e+00 3.22 -3.699846193e+00 -3.699846193e+00 3.24 -3.600088474e+00 -3.600088474e+00 3.26 -3.499796692e+00 -3.499796692e+00 3.28 -3.398986323e+00 -3.398986323e+00 3.30 -3.297714769e+00 -3.297714769e+00 3.32 -3.196086226e+00 -3.196086226e+00 3.34 -3.094254092e+00 -3.094254092e+00 3.36 -2.992432085e+00 -2.992432085e+00 3.38 -2.891072581e+00 -2.891072581e+00 3.40 -2.790792431e+00 -2.790792431e+00 3.42 -2.692177082e+00 -2.692177082e+00 3.44 -2.595760359e+00 -2.595760359e+00 3.46 -2.502010135e+00 -2.502010135e+00 3.48 -2.411316076e+00 -2.411316076e+00 3.50 -2.323981133e+00 -2.323981133e+00 3.52 -2.240217818e+00 -2.240217818e+00 3.54 -2.160149542e+00 -2.160149542e+00 3.56 -2.083816581e+00 -2.083816581e+00 3.58 -2.011185700e+00 -2.011185700e+00 3.60 -1.942162141e+00 -1.942162141e+00 3.62 -1.876602678e+00 -1.876602678e+00 3.64 -1.814328549e+00 -1.814328549e+00 3.66 -1.755137385e+00 -1.755137385e+00 3.68 -1.698813585e+00 -1.698813585e+00 3.70 -1.645136868e+00 -1.645136868e+00 3.72 -1.593888994e+00 -1.593888994e+00 3.74 -1.544858789e+00 -1.544858789e+00 3.76 -1.497845720e+00 -1.497845720e+00 3.78 -1.452662267e+00 -1.452662267e+00 3.80 -1.409135358e+00 -1.409135358e+00 3.82 -1.367107065e+00 -1.367107065e+00 3.84 -1.326434772e+00 -1.326434772e+00 3.86 -1.286990949e+00 -1.286990949e+00 3.88 -1.248662670e+00 -1.248662670e+00 3.90 -1.211351002e+00 -1.211351002e+00 3.92 -1.174970356e+00 -1.174970356e+00 3.94 -1.139447906e+00 -1.139447906e+00 3.96 -1.104723125e+00 -1.104723125e+00 3.98 -1.070747505e+00 -1.070747505e+00 4.00 -1.037484422e+00 -1.037484422e+00 4.02 -1.004909111e+00 -1.004909111e+00 4.04 -9.730086189e-01 -9.730086189e-01 4.06 -9.417816002e-01 -9.417816002e-01 4.08 -9.112377457e-01 -9.112377457e-01 4.10 -8.813966814e-01 -8.813966814e-01 4.12 -8.522862342e-01 -8.522862342e-01 4.14 -8.239399204e-01 -8.239399204e-01 4.16 -7.963938734e-01 -7.963938734e-01 4.18 -7.696833054e-01 -7.696833054e-01 4.20 -7.438388641e-01 -7.438388641e-01 4.22 -7.188832511e-01 -7.188832511e-01 4.24 -6.948284692e-01 -6.948284692e-01 4.26 -6.716739829e-01 -6.716739829e-01 4.28 -6.494059397e-01 -6.494059397e-01 4.30 -6.279974384e-01 -6.279974384e-01 4.32 -6.074096907e-01 -6.074096907e-01 4.34 -5.875938224e-01 -5.875938224e-01 4.36 -5.684930228e-01 -5.684930228e-01 4.38 -5.500447718e-01 -5.500447718e-01 4.40 -5.321829301e-01 -5.321829301e-01 4.42 -5.148395556e-01 -5.148395556e-01 4.44 -4.979463877e-01 -4.979463877e-01 4.46 -4.814360029e-01 -4.814360029e-01 4.48 -4.652426918e-01 -4.652426918e-01 4.50 -4.493031339e-01 -4.493031339e-01 4.52 -4.335569584e-01 -4.335569584e-01 4.54 -4.179472763e-01 -4.179472763e-01 4.56 -4.024212632e-01 -4.024212632e-01 4.58 -3.869308554e-01 -3.869308554e-01 4.60 -3.714336038e-01 -3.714336038e-01 4.62 -3.558937079e-01 -3.558937079e-01 4.64 -3.402832233e-01 -3.402832233e-01 4.66 -3.245834073e-01 -3.245834073e-01 4.68 -3.087861291e-01 -3.087861291e-01 4.70 -2.928952376e-01 -2.928952376e-01 4.72 -2.769277451e-01 -2.769277451e-01 4.74 -2.609146556e-01 -2.609146556e-01 4.76 -2.449012617e-01 -2.449012617e-01 4.78 -2.289467372e-01 -2.289467372e-01 4.80 -2.131228981e-01 -2.131228981e-01 4.82 -1.975120717e-01 -1.975120717e-01 4.84 -1.822041034e-01 -1.822041034e-01 4.86 -1.672926680e-01 -1.672926680e-01 4.88 -1.528710800e-01 -1.528710800e-01 4.90 -1.390279818e-01 -1.390279818e-01 4.92 -1.258432604e-01 -1.258432604e-01 4.94 -1.133851432e-01 -1.133851432e-01 4.96 -1.017070177e-01 -1.017070177e-01 4.98 -9.084428299e-02 -9.084428299e-02 5.00 -8.081570560e-02 -8.081570560e-02 5.02 -7.162389910e-02 -7.162389910e-02 5.04 -6.325663281e-02 -6.325663281e-02 5.06 -5.568879638e-02 -5.568879638e-02 5.08 -4.888476484e-02 -4.888476484e-02 5.10 -4.280092137e-02 -4.280092137e-02 5.12 -3.738813226e-02 -3.738813226e-02 5.14 -3.259402061e-02 -3.259402061e-02 5.16 -2.836493983e-02 -2.836493983e-02 5.18 -2.464759776e-02 -2.464759776e-02 5.20 -2.139032002e-02 -2.139032002e-02 5.22 -1.854397803e-02 -1.854397803e-02 5.24 -1.606261490e-02 -1.606261490e-02 5.26 -1.390372491e-02 -1.390372491e-02 5.28 -1.202831257e-02 -1.202831257e-02 5.30 -1.040166265e-02 -1.040166265e-02 5.32 -8.992594989e-03 -8.992594989e-03 5.34 -7.773265545e-03 -7.773265545e-03 5.36 -6.718980355e-03 -6.718980355e-03 5.38 -5.807963167e-03 -5.807963167e-03 5.40 -5.021100520e-03 -5.021100520e-03 5.42 -4.341681058e-03 -4.341681058e-03 5.44 -3.755140396e-03 -3.755140396e-03 5.46 -3.248818821e-03 -3.248818821e-03 5.48 -2.811736114e-03 -2.811736114e-03 5.50 -2.434385657e-03 -2.434385657e-03 5.52 -2.108548535e-03 -2.108548535e-03 5.54 -1.827127317e-03 -1.827127317e-03 5.56 -1.583998616e-03 -1.583998616e-03 5.58 -1.373883125e-03 -1.373883125e-03 5.60 -1.192231646e-03 -1.192231646e-03 5.62 -1.035125571e-03 -1.035125571e-03 5.64 -8.991902727e-04 -8.991902727e-04 5.66 -7.815199455e-04 -7.815199455e-04 5.68 -6.796125402e-04 -6.796125402e-04 5.70 -5.913135325e-04 -5.913135325e-04 5.72 -5.147674070e-04 -5.147674070e-04 5.74 -4.483758477e-04 -4.483758477e-04 5.76 -3.907617419e-04 -3.907617419e-04 5.78 -3.407382138e-04 -3.407382138e-04 5.80 -2.972820008e-04 -2.972820008e-04 5.82 -2.595105707e-04 -2.595105707e-04 5.84 -2.266624623e-04 -2.266624623e-04 5.86 -1.980803961e-04 -1.980803961e-04 5.88 -1.731967665e-04 -1.731967665e-04 5.90 -1.515211792e-04 -1.515211792e-04 5.92 -1.326297446e-04 -1.326297446e-04 5.94 -1.161558781e-04 -1.161558781e-04 5.96 -1.017823929e-04 -1.017823929e-04 5.98 -8.923470322e-05 -8.923470322e-05 6.00 -7.827497907e-05 -7.827497907e-05