# 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 = MoPd2Pt # 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 3.634186436e+02 3.634186436e+02 1.30 3.379287050e+02 3.379287050e+02 1.32 3.141671330e+02 3.141671330e+02 1.34 2.920271544e+02 2.920271544e+02 1.36 2.714158474e+02 2.714158474e+02 1.38 2.522429363e+02 2.522429363e+02 1.40 2.344145956e+02 2.344145956e+02 1.42 2.178334816e+02 2.178334816e+02 1.44 2.024018971e+02 2.024018971e+02 1.46 1.880253020e+02 1.880253020e+02 1.48 1.746151646e+02 1.746151646e+02 1.50 1.620906477e+02 1.620906477e+02 1.52 1.503787704e+02 1.503787704e+02 1.54 1.394135827e+02 1.394135827e+02 1.56 1.291354717e+02 1.291354717e+02 1.58 1.194910235e+02 1.194910235e+02 1.60 1.104329206e+02 1.104329206e+02 1.62 1.019193173e+02 1.019193173e+02 1.64 9.391281073e+01 9.391281073e+01 1.66 8.637967199e+01 8.637967199e+01 1.68 7.928980831e+01 7.928980831e+01 1.70 7.261716126e+01 7.261716126e+01 1.72 6.633968862e+01 6.633968862e+01 1.74 6.043857234e+01 6.043857234e+01 1.76 5.490802290e+01 5.490802290e+01 1.78 4.980433833e+01 4.980433833e+01 1.80 4.511827987e+01 4.511827987e+01 1.82 4.081710785e+01 4.081710785e+01 1.84 3.686981688e+01 3.686981688e+01 1.86 3.324748228e+01 3.324748228e+01 1.88 2.992330875e+01 2.992330875e+01 1.90 2.687256008e+01 2.687256008e+01 1.92 2.407248448e+01 2.407248448e+01 1.94 2.150224196e+01 2.150224196e+01 1.96 1.914280003e+01 1.914280003e+01 1.98 1.697679380e+01 1.697679380e+01 2.00 1.498837516e+01 1.498837516e+01 2.02 1.316306903e+01 1.316306903e+01 2.04 1.148763601e+01 1.148763601e+01 2.06 9.949937673e+00 9.949937673e+00 2.08 8.538809182e+00 8.538809182e+00 2.10 7.243950796e+00 7.243950796e+00 2.12 6.055849902e+00 6.055849902e+00 2.14 4.965739871e+00 4.965739871e+00 2.16 3.965590973e+00 3.965590973e+00 2.18 3.048116417e+00 3.048116417e+00 2.20 2.206770806e+00 2.206770806e+00 2.22 1.435724123e+00 1.435724123e+00 2.24 7.298071413e-01 7.298071413e-01 2.26 8.443520287e-02 8.443520287e-02 2.28 -5.044787547e-01 -5.044787547e-01 2.30 -1.040612809e+00 -1.040612809e+00 2.32 -1.527320922e+00 -1.527320922e+00 2.34 -1.967711063e+00 -1.967711063e+00 2.36 -2.364714174e+00 -2.364714174e+00 2.38 -2.721141101e+00 -2.721141101e+00 2.40 -3.039724578e+00 -3.039724578e+00 2.42 -3.323144685e+00 -3.323144685e+00 2.44 -3.574038619e+00 -3.574038619e+00 2.46 -3.794997801e+00 -3.794997801e+00 2.48 -3.988555444e+00 -3.988555444e+00 2.50 -4.157499136e+00 -4.157499136e+00 2.52 -4.305320296e+00 -4.305320296e+00 2.54 -4.433999813e+00 -4.433999813e+00 2.56 -4.545250142e+00 -4.545250142e+00 2.58 -4.640595582e+00 -4.640595582e+00 2.60 -4.721348882e+00 -4.721348882e+00 2.62 -4.788608561e+00 -4.788608561e+00 2.64 -4.843277229e+00 -4.843277229e+00 2.66 -4.886081140e+00 -4.886081140e+00 2.68 -4.917505793e+00 -4.917505793e+00 2.70 -4.937922663e+00 -4.937922663e+00 2.72 -4.947686906e+00 -4.947686906e+00 2.74 -4.947150950e+00 -4.947150950e+00 2.76 -4.936672355e+00 -4.936672355e+00 2.78 -4.916618929e+00 -4.916618929e+00 2.80 -4.887772806e+00 -4.887772806e+00 2.82 -4.850727479e+00 -4.850727479e+00 2.84 -4.805660239e+00 -4.805660239e+00 2.86 -4.752840497e+00 -4.752840497e+00 2.88 -4.692638686e+00 -4.692638686e+00 2.90 -4.625535582e+00 -4.625535582e+00 2.92 -4.552127026e+00 -4.552127026e+00 2.94 -4.473118824e+00 -4.473118824e+00 2.96 -4.389308469e+00 -4.389308469e+00 2.98 -4.301582570e+00 -4.301582570e+00 3.00 -4.210888707e+00 -4.210888707e+00 3.02 -4.118124788e+00 -4.118124788e+00 3.04 -4.024088429e+00 -4.024088429e+00 3.06 -3.929444277e+00 -3.929444277e+00 3.08 -3.834707540e+00 -3.834707540e+00 3.10 -3.740244355e+00 -3.740244355e+00 3.12 -3.646286661e+00 -3.646286661e+00 3.14 -3.553040521e+00 -3.553040521e+00 3.16 -3.460741418e+00 -3.460741418e+00 3.18 -3.369482711e+00 -3.369482711e+00 3.20 -3.279250344e+00 -3.279250344e+00 3.22 -3.189971705e+00 -3.189971705e+00 3.24 -3.101551836e+00 -3.101551836e+00 3.26 -3.013899215e+00 -3.013899215e+00 3.28 -2.926943463e+00 -2.926943463e+00 3.30 -2.840647002e+00 -2.840647002e+00 3.32 -2.755012089e+00 -2.755012089e+00 3.34 -2.670084166e+00 -2.670084166e+00 3.36 -2.585952029e+00 -2.585952029e+00 3.38 -2.502745090e+00 -2.502745090e+00 3.40 -2.420627924e+00 -2.420627924e+00 3.42 -2.339792415e+00 -2.339792415e+00 3.44 -2.260447926e+00 -2.260447926e+00 3.46 -2.182810199e+00 -2.182810199e+00 3.48 -2.107089816e+00 -2.107089816e+00 3.50 -2.033481164e+00 -2.033481164e+00 3.52 -1.962152792e+00 -1.962152792e+00 3.54 -1.893239891e+00 -1.893239891e+00 3.56 -1.826839342e+00 -1.826839342e+00 3.58 -1.763007475e+00 -1.763007475e+00 3.60 -1.701760392e+00 -1.701760392e+00 3.62 -1.643076441e+00 -1.643076441e+00 3.64 -1.586900320e+00 -1.586900320e+00 3.66 -1.533148220e+00 -1.533148220e+00 3.68 -1.481713469e+00 -1.481713469e+00 3.70 -1.432472213e+00 -1.432472213e+00 3.72 -1.385288798e+00 -1.385288798e+00 3.74 -1.340020626e+00 -1.340020626e+00 3.76 -1.296522367e+00 -1.296522367e+00 3.78 -1.254649469e+00 -1.254649469e+00 3.80 -1.214260981e+00 -1.214260981e+00 3.82 -1.175221731e+00 -1.175221731e+00 3.84 -1.137403923e+00 -1.137403923e+00 3.86 -1.100688253e+00 -1.100688253e+00 3.88 -1.064964634e+00 -1.064964634e+00 3.90 -1.030132664e+00 -1.030132664e+00 3.92 -9.961019488e-01 -9.961019488e-01 3.94 -9.627924159e-01 -9.627924159e-01 3.96 -9.301346972e-01 -9.301346972e-01 3.98 -8.980706872e-01 -8.980706872e-01 4.00 -8.665542701e-01 -8.665542701e-01 4.02 -8.355521898e-01 -8.355521898e-01 4.04 -8.050449530e-01 -8.050449530e-01 4.06 -7.750275984e-01 -7.750275984e-01 4.08 -7.455101129e-01 -7.455101129e-01 4.10 -7.165172582e-01 -7.165172582e-01 4.12 -6.880876153e-01 -6.880876153e-01 4.14 -6.602716453e-01 -6.602716453e-01 4.16 -6.331288034e-01 -6.331288034e-01 4.18 -6.067237461e-01 -6.067237461e-01 4.20 -5.811218987e-01 -5.811218987e-01 4.22 -5.563847422e-01 -5.563847422e-01 4.24 -5.325652603e-01 -5.325652603e-01 4.26 -5.097039926e-01 -5.097039926e-01 4.28 -4.878260740e-01 -4.878260740e-01 4.30 -4.669395114e-01 -4.669395114e-01 4.32 -4.470347795e-01 -4.470347795e-01 4.34 -4.280856490e-01 -4.280856490e-01 4.36 -4.100510228e-01 -4.100510228e-01 4.38 -3.928774687e-01 -3.928774687e-01 4.40 -3.765021201e-01 -3.765021201e-01 4.42 -3.608556453e-01 -3.608556453e-01 4.44 -3.458650543e-01 -3.458650543e-01 4.46 -3.314561973e-01 -3.314561973e-01 4.48 -3.175558878e-01 -3.175558878e-01 4.50 -3.040936490e-01 -3.040936490e-01 4.52 -2.910031271e-01 -2.910031271e-01 4.54 -2.782232379e-01 -2.782232379e-01 4.56 -2.656991200e-01 -2.656991200e-01 4.58 -2.533829588e-01 -2.533829588e-01 4.60 -2.412347248e-01 -2.412347248e-01 4.62 -2.292228488e-01 -2.292228488e-01 4.64 -2.173248258e-01 -2.173248258e-01 4.66 -2.055277165e-01 -2.055277165e-01 4.68 -1.938284887e-01 -1.938284887e-01 4.70 -1.822341323e-01 -1.822341323e-01 4.72 -1.707614694e-01 -1.707614694e-01 4.74 -1.594365962e-01 -1.594365962e-01 4.76 -1.482939086e-01 -1.482939086e-01 4.78 -1.373746977e-01 -1.373746977e-01 4.80 -1.267253447e-01 -1.267253447e-01 4.82 -1.163951893e-01 -1.163951893e-01 4.84 -1.064341773e-01 -1.064341773e-01 4.86 -9.689044966e-02 -9.689044966e-02 4.88 -8.780802498e-02 -8.780802498e-02 4.90 -7.922475365e-02 -7.922475365e-02 4.92 -7.117066842e-02 -7.117066842e-02 4.94 -6.366684701e-02 -6.366684701e-02 4.96 -5.672485077e-02 -5.672485077e-02 4.98 -5.034672538e-02 -5.034672538e-02 5.00 -4.452551554e-02 -4.452551554e-02 5.02 -3.924618892e-02 -3.924618892e-02 5.04 -3.448719726e-02 -3.448719726e-02 5.06 -3.022127913e-02 -3.022127913e-02 5.08 -2.641680534e-02 -2.641680534e-02 5.10 -2.303974333e-02 -2.303974333e-02 5.12 -2.005484446e-02 -2.005484446e-02 5.14 -1.742669848e-02 -1.742669848e-02 5.16 -1.512057123e-02 -1.512057123e-02 5.18 -1.310294396e-02 -1.310294396e-02 5.20 -1.134249143e-02 -1.134249143e-02 5.22 -9.810072402e-03 -9.810072402e-03 5.24 -8.478858052e-03 -8.478858052e-03 5.26 -7.324422626e-03 -7.324422626e-03 5.28 -6.324736952e-03 -6.324736952e-03 5.30 -5.460091482e-03 -5.460091482e-03 5.32 -4.712971258e-03 -4.712971258e-03 5.34 -4.067900919e-03 -4.067900919e-03 5.36 -3.511273837e-03 -3.511273837e-03 5.38 -3.031175864e-03 -3.031175864e-03 5.40 -2.617211241e-03 -2.617211241e-03 5.42 -2.260335772e-03 -2.260335772e-03 5.44 -1.952700528e-03 -1.952700528e-03 5.46 -1.687507901e-03 -1.687507901e-03 5.48 -1.458880817e-03 -1.458880817e-03 5.50 -1.261745173e-03 -1.261745173e-03 5.52 -1.091725088e-03 -1.091725088e-03 5.54 -9.450502157e-04 -9.450502157e-04 5.56 -8.184742320e-04 -8.184742320e-04 5.58 -7.092034717e-04 -7.092034717e-04 5.60 -6.148347163e-04 -6.148347163e-04 5.62 -5.333011325e-04 -5.333011325e-04 5.64 -4.628254219e-04 -4.628254219e-04 5.66 -4.018793127e-04 -4.018793127e-04 5.68 -3.491486003e-04 -3.491486003e-04 5.70 -3.035030207e-04 -3.035030207e-04 5.72 -2.639703218e-04 -2.639703218e-04 5.74 -2.297139692e-04 -2.297139692e-04 5.76 -2.000139907e-04 -2.000139907e-04 5.78 -1.742505284e-04 -1.742505284e-04 5.80 -1.518897206e-04 -1.518897206e-04 5.82 -1.324715883e-04 -1.324715883e-04 5.84 -1.155996416e-04 -1.155996416e-04 5.86 -1.009319641e-04 -1.009319641e-04 5.88 -8.817356429e-05 -8.817356429e-05 5.90 -7.706981267e-05 -7.706981267e-05 5.92 -6.740081091e-05 -6.740081091e-05 5.94 -5.897655844e-05 -5.897655844e-05 5.96 -5.163280305e-05 -5.163280305e-05 5.98 -4.522747747e-05 -4.522747747e-05 6.00 -3.963763807e-05 -3.963763807e-05