# 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 = Mo2PtTi # 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 3.505759622e+02 3.505759622e+02 1.30 3.261618712e+02 3.261618712e+02 1.32 3.034377445e+02 3.034377445e+02 1.34 2.822709539e+02 2.822709539e+02 1.36 2.625527454e+02 2.625527454e+02 1.38 2.441883439e+02 2.441883439e+02 1.40 2.270878682e+02 2.270878682e+02 1.42 2.111615249e+02 2.111615249e+02 1.44 1.963195879e+02 1.963195879e+02 1.46 1.824758132e+02 1.824758132e+02 1.48 1.695514165e+02 1.695514165e+02 1.50 1.574768957e+02 1.574768957e+02 1.52 1.461911035e+02 1.461911035e+02 1.54 1.356388560e+02 1.356388560e+02 1.56 1.257687216e+02 1.257687216e+02 1.58 1.165318322e+02 1.165318322e+02 1.60 1.078815470e+02 1.078815470e+02 1.62 9.977351758e+01 9.977351758e+01 1.64 9.216604955e+01 9.216604955e+01 1.66 8.502081220e+01 8.502081220e+01 1.68 7.830370411e+01 7.830370411e+01 1.70 7.198545603e+01 7.198545603e+01 1.72 6.604166412e+01 6.604166412e+01 1.74 6.045222880e+01 6.045222880e+01 1.76 5.520040148e+01 5.520040148e+01 1.78 5.027173546e+01 5.027173546e+01 1.80 4.565314587e+01 4.565314587e+01 1.82 4.133206052e+01 4.133206052e+01 1.84 3.729690070e+01 3.729690070e+01 1.86 3.355596335e+01 3.355596335e+01 1.88 3.013768107e+01 3.013768107e+01 1.90 2.701596531e+01 2.701596531e+01 1.92 2.416297442e+01 2.416297442e+01 1.94 2.155282864e+01 2.155282864e+01 1.96 1.916208120e+01 1.916208120e+01 1.98 1.696990257e+01 1.696990257e+01 2.00 1.495799473e+01 1.495799473e+01 2.02 1.311030257e+01 1.311030257e+01 2.04 1.141262868e+01 1.141262868e+01 2.06 9.852259935e+00 9.852259935e+00 2.08 8.417675152e+00 8.417675152e+00 2.10 7.098348539e+00 7.098348539e+00 2.12 5.884633071e+00 5.884633071e+00 2.14 4.767700547e+00 4.767700547e+00 2.16 3.739522411e+00 3.739522411e+00 2.18 2.792871465e+00 2.792871465e+00 2.20 1.921316809e+00 1.921316809e+00 2.22 1.119185059e+00 1.119185059e+00 2.24 3.814773670e-01 3.814773670e-01 2.26 -2.962472993e-01 -2.962472993e-01 2.28 -9.179965861e-01 -9.179965861e-01 2.30 -1.487449471e+00 -1.487449471e+00 2.32 -2.008025121e+00 -2.008025121e+00 2.34 -2.482918101e+00 -2.482918101e+00 2.36 -2.915116359e+00 -2.915116359e+00 2.38 -3.307417455e+00 -3.307417455e+00 2.40 -3.662450717e+00 -3.662450717e+00 2.42 -3.982703070e+00 -3.982703070e+00 2.44 -4.270542582e+00 -4.270542582e+00 2.46 -4.528236535e+00 -4.528236535e+00 2.48 -4.757963686e+00 -4.757963686e+00 2.50 -4.961820661e+00 -4.961820661e+00 2.52 -5.141819437e+00 -5.141819437e+00 2.54 -5.299871324e+00 -5.299871324e+00 2.56 -5.437756602e+00 -5.437756602e+00 2.58 -5.557087000e+00 -5.557087000e+00 2.60 -5.659274780e+00 -5.659274780e+00 2.62 -5.745521629e+00 -5.745521629e+00 2.64 -5.816837300e+00 -5.816837300e+00 2.66 -5.874726947e+00 -5.874726947e+00 2.68 -5.920320286e+00 -5.920320286e+00 2.70 -5.954197221e+00 -5.954197221e+00 2.72 -5.976908334e+00 -5.976908334e+00 2.74 -5.989000602e+00 -5.989000602e+00 2.76 -5.991031338e+00 -5.991031338e+00 2.78 -5.983573389e+00 -5.983573389e+00 2.80 -5.967250550e+00 -5.967250550e+00 2.82 -5.942553946e+00 -5.942553946e+00 2.84 -5.909566119e+00 -5.909566119e+00 2.86 -5.868372869e+00 -5.868372869e+00 2.88 -5.819158636e+00 -5.819158636e+00 2.90 -5.762210079e+00 -5.762210079e+00 2.92 -5.697921007e+00 -5.697921007e+00 2.94 -5.626794106e+00 -5.626794106e+00 2.96 -5.549434820e+00 -5.549434820e+00 2.98 -5.466500244e+00 -5.466500244e+00 3.00 -5.378642215e+00 -5.378642215e+00 3.02 -5.286539338e+00 -5.286539338e+00 3.04 -5.190860015e+00 -5.190860015e+00 3.06 -5.092217593e+00 -5.092217593e+00 3.08 -4.991133112e+00 -4.991133112e+00 3.10 -4.888011849e+00 -4.888011849e+00 3.12 -4.783135228e+00 -4.783135228e+00 3.14 -4.676667795e+00 -4.676667795e+00 3.16 -4.568674912e+00 -4.568674912e+00 3.18 -4.459147636e+00 -4.459147636e+00 3.20 -4.348029651e+00 -4.348029651e+00 3.22 -4.235243571e+00 -4.235243571e+00 3.24 -4.120714970e+00 -4.120714970e+00 3.26 -4.004393605e+00 -4.004393605e+00 3.28 -3.886271881e+00 -3.886271881e+00 3.30 -3.766400681e+00 -3.766400681e+00 3.32 -3.644902413e+00 -3.644902413e+00 3.34 -3.521980803e+00 -3.521980803e+00 3.36 -3.397954950e+00 -3.397954950e+00 3.38 -3.273495875e+00 -3.273495875e+00 3.40 -3.149456698e+00 -3.149456698e+00 3.42 -3.026683823e+00 -3.026683823e+00 3.44 -2.905988339e+00 -2.905988339e+00 3.46 -2.788118640e+00 -2.788118640e+00 3.48 -2.673735505e+00 -2.673735505e+00 3.50 -2.563392495e+00 -2.563392495e+00 3.52 -2.457523413e+00 -2.457523413e+00 3.54 -2.356437379e+00 -2.356437379e+00 3.56 -2.260321010e+00 -2.260321010e+00 3.58 -2.169246485e+00 -2.169246485e+00 3.60 -2.083183962e+00 -2.083183962e+00 3.62 -2.002016876e+00 -2.002016876e+00 3.64 -1.925558787e+00 -1.925558787e+00 3.66 -1.853570628e+00 -1.853570628e+00 3.68 -1.785777345e+00 -1.785777345e+00 3.70 -1.721883050e+00 -1.721883050e+00 3.72 -1.661584029e+00 -1.661584029e+00 3.74 -1.604579221e+00 -1.604579221e+00 3.76 -1.550578075e+00 -1.550578075e+00 3.78 -1.499305936e+00 -1.499305936e+00 3.80 -1.450507297e+00 -1.450507297e+00 3.82 -1.403947332e+00 -1.403947332e+00 3.84 -1.359412150e+00 -1.359412150e+00 3.86 -1.316708151e+00 -1.316708151e+00 3.88 -1.275660848e+00 -1.275660848e+00 3.90 -1.236113410e+00 -1.236113410e+00 3.92 -1.197925142e+00 -1.197925142e+00 3.94 -1.160970119e+00 -1.160970119e+00 3.96 -1.125135937e+00 -1.125135937e+00 3.98 -1.090322869e+00 -1.090322869e+00 4.00 -1.056443299e+00 -1.056443299e+00 4.02 -1.023421501e+00 -1.023421501e+00 4.04 -9.911937230e-01 -9.911937230e-01 4.06 -9.597084803e-01 -9.597084803e-01 4.08 -9.289269445e-01 -9.289269445e-01 4.10 -8.988231633e-01 -8.988231633e-01 4.12 -8.693844195e-01 -8.693844195e-01 4.14 -8.406102175e-01 -8.406102175e-01 4.16 -8.125115142e-01 -8.125115142e-01 4.18 -7.851086947e-01 -7.851086947e-01 4.20 -7.584288836e-01 -7.584288836e-01 4.22 -7.325026365e-01 -7.325026365e-01 4.24 -7.073602902e-01 -7.073602902e-01 4.26 -6.830283372e-01 -6.830283372e-01 4.28 -6.595262142e-01 -6.595262142e-01 4.30 -6.368638361e-01 -6.368638361e-01 4.32 -6.150400926e-01 -6.150400926e-01 4.34 -5.940423670e-01 -5.940423670e-01 4.36 -5.738469933e-01 -5.738469933e-01 4.38 -5.544204555e-01 -5.544204555e-01 4.40 -5.357210757e-01 -5.357210757e-01 4.42 -5.177009346e-01 -5.177009346e-01 4.44 -5.003078078e-01 -5.003078078e-01 4.46 -4.834869593e-01 -4.834869593e-01 4.48 -4.671827013e-01 -4.671827013e-01 4.50 -4.513396977e-01 -4.513396977e-01 4.52 -4.359040011e-01 -4.359040011e-01 4.54 -4.208236409e-01 -4.208236409e-01 4.56 -4.060500916e-01 -4.060500916e-01 4.58 -3.915384763e-01 -3.915384763e-01 4.60 -3.772480316e-01 -3.772480316e-01 4.62 -3.631428122e-01 -3.631428122e-01 4.64 -3.491924182e-01 -3.491924182e-01 4.66 -3.353727543e-01 -3.353727543e-01 4.68 -3.216668074e-01 -3.216668074e-01 4.70 -3.080653948e-01 -3.080653948e-01 4.72 -2.945678123e-01 -2.945678123e-01 4.74 -2.811822889e-01 -2.811822889e-01 4.76 -2.679261436e-01 -2.679261436e-01 4.78 -2.548255453e-01 -2.548255453e-01 4.80 -2.419147502e-01 -2.419147502e-01 4.82 -2.292350413e-01 -2.292350413e-01 4.84 -2.168327084e-01 -2.168327084e-01 4.86 -2.047570743e-01 -2.047570743e-01 4.88 -1.930579938e-01 -1.930579938e-01 4.90 -1.817833094e-01 -1.817833094e-01 4.92 -1.709764276e-01 -1.709764276e-01 4.94 -1.606742190e-01 -1.606742190e-01 4.96 -1.509054164e-01 -1.509054164e-01 4.98 -1.416896027e-01 -1.416896027e-01 5.00 -1.330368289e-01 -1.330368289e-01 5.02 -1.249478227e-01 -1.249478227e-01 5.04 -1.174146960e-01 -1.174146960e-01 5.06 -1.104220212e-01 -1.104220212e-01 5.08 -1.039483007e-01 -1.039483007e-01 5.10 -9.796743661e-02 -9.796743661e-02 5.12 -9.244921642e-02 -9.244921642e-02 5.14 -8.736131562e-02 -8.736131562e-02 5.16 -8.267047957e-02 -8.267047957e-02 5.18 -7.834345636e-02 -7.834345636e-02 5.20 -7.434773352e-02 -7.434773352e-02 5.22 -7.065208840e-02 -7.065208840e-02 5.24 -6.722697157e-02 -6.722697157e-02 5.26 -6.404474758e-02 -6.404474758e-02 5.28 -6.107981892e-02 -6.107981892e-02 5.30 -5.830865861e-02 -5.830865861e-02 5.32 -5.570977406e-02 -5.570977406e-02 5.34 -5.326362290e-02 -5.326362290e-02 5.36 -5.095249721e-02 -5.095249721e-02 5.38 -4.876039086e-02 -4.876039086e-02 5.40 -4.667286270e-02 -4.667286270e-02 5.42 -4.467690008e-02 -4.467690008e-02 5.44 -4.276079321e-02 -4.276079321e-02 5.46 -4.091402433e-02 -4.091402433e-02 5.48 -3.912717522e-02 -3.912717522e-02 5.50 -3.739185528e-02 -3.739185528e-02 5.52 -3.570065146e-02 -3.570065146e-02 5.54 -3.404710022e-02 -3.404710022e-02 5.56 -3.242568046e-02 -3.242568046e-02 5.58 -3.083182233e-02 -3.083182233e-02 5.60 -2.926193437e-02 -2.926193437e-02 5.62 -2.771343818e-02 -2.771343818e-02 5.64 -2.618480460e-02 -2.618480460e-02 5.66 -2.467558273e-02 -2.467558273e-02 5.68 -2.318641195e-02 -2.318641195e-02 5.70 -2.171900657e-02 -2.171900657e-02 5.72 -2.027610345e-02 -2.027610345e-02 5.74 -1.886136521e-02 -1.886136521e-02 5.76 -1.747923489e-02 -1.747923489e-02 5.78 -1.613461318e-02 -1.613461318e-02 5.80 -1.483280035e-02 -1.483280035e-02 5.82 -1.357935551e-02 -1.357935551e-02 5.84 -1.237964243e-02 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