# 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 = NiPdTi2 # 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 2.421120617e+02 2.421120617e+02 1.30 2.240336843e+02 2.240336843e+02 1.32 2.073114019e+02 2.073114019e+02 1.34 1.918372324e+02 1.918372324e+02 1.36 1.775106524e+02 1.775106524e+02 1.38 1.642385066e+02 1.642385066e+02 1.40 1.519355494e+02 1.519355494e+02 1.42 1.405247240e+02 1.405247240e+02 1.44 1.299369118e+02 1.299369118e+02 1.46 1.201100227e+02 1.201100227e+02 1.48 1.109876072e+02 1.109876072e+02 1.50 1.025175650e+02 1.025175650e+02 1.52 9.465137687e+01 9.465137687e+01 1.54 8.734383437e+01 8.734383437e+01 1.56 8.055291507e+01 8.055291507e+01 1.58 7.423953722e+01 7.423953722e+01 1.60 6.836734458e+01 6.836734458e+01 1.62 6.290278371e+01 6.290278371e+01 1.64 5.781535288e+01 5.781535288e+01 1.66 5.307763802e+01 5.307763802e+01 1.68 4.866501286e+01 4.866501286e+01 1.70 4.455520258e+01 4.455520258e+01 1.72 4.072787338e+01 4.072787338e+01 1.74 3.716423377e+01 3.716423377e+01 1.76 3.384686568e+01 3.384686568e+01 1.78 3.076202682e+01 3.076202682e+01 1.80 2.790584869e+01 2.790584869e+01 1.82 2.526277897e+01 2.526277897e+01 1.84 2.281684276e+01 2.281684276e+01 1.86 2.055340725e+01 2.055340725e+01 1.88 1.845908032e+01 1.845908032e+01 1.90 1.652156369e+01 1.652156369e+01 1.92 1.472952432e+01 1.472952432e+01 1.94 1.307250112e+01 1.307250112e+01 1.96 1.154083829e+01 1.154083829e+01 1.98 1.012562677e+01 1.012562677e+01 2.00 8.818635778e+00 8.818635778e+00 2.02 7.612227709e+00 7.612227709e+00 2.04 6.499272685e+00 6.499272685e+00 2.06 5.473092290e+00 5.473092290e+00 2.08 4.527448893e+00 4.527448893e+00 2.10 3.656566603e+00 3.656566603e+00 2.12 2.855148068e+00 2.855148068e+00 2.14 2.118360249e+00 2.118360249e+00 2.16 1.441786975e+00 1.441786975e+00 2.18 8.213625537e-01 8.213625537e-01 2.20 2.533023218e-01 2.533023218e-01 2.22 -2.659602497e-01 -2.659602497e-01 2.24 -7.398217983e-01 -7.398217983e-01 2.26 -1.171537077e+00 -1.171537077e+00 2.28 -1.564226177e+00 -1.564226177e+00 2.30 -1.920866115e+00 -1.920866115e+00 2.32 -2.244276985e+00 -2.244276985e+00 2.34 -2.537105494e+00 -2.537105494e+00 2.36 -2.801808668e+00 -2.801808668e+00 2.38 -3.040640024e+00 -3.040640024e+00 2.40 -3.255645466e+00 -3.255645466e+00 2.42 -3.448674511e+00 -3.448674511e+00 2.44 -3.621405533e+00 -3.621405533e+00 2.46 -3.775378180e+00 -3.775378180e+00 2.48 -3.912022550e+00 -3.912022550e+00 2.50 -4.032677295e+00 -4.032677295e+00 2.52 -4.138593808e+00 -4.138593808e+00 2.54 -4.230929827e+00 -4.230929827e+00 2.56 -4.310740051e+00 -4.310740051e+00 2.58 -4.378973209e+00 -4.378973209e+00 2.60 -4.436575307e+00 -4.436575307e+00 2.62 -4.484261749e+00 -4.484261749e+00 2.64 -4.522607303e+00 -4.522607303e+00 2.66 -4.552167532e+00 -4.552167532e+00 2.68 -4.573487517e+00 -4.573487517e+00 2.70 -4.587107735e+00 -4.587107735e+00 2.72 -4.593567757e+00 -4.593567757e+00 2.74 -4.593402325e+00 -4.593402325e+00 2.76 -4.587049339e+00 -4.587049339e+00 2.78 -4.574825555e+00 -4.574825555e+00 2.80 -4.557305931e+00 -4.557305931e+00 2.82 -4.534708533e+00 -4.534708533e+00 2.84 -4.507128382e+00 -4.507128382e+00 2.86 -4.474647039e+00 -4.474647039e+00 2.88 -4.437406970e+00 -4.437406970e+00 2.90 -4.395608657e+00 -4.395608657e+00 2.92 -4.349503385e+00 -4.349503385e+00 2.94 -4.299384553e+00 -4.299384553e+00 2.96 -4.245595797e+00 -4.245595797e+00 2.98 -4.188534116e+00 -4.188534116e+00 3.00 -4.128602985e+00 -4.128602985e+00 3.02 -4.066201149e+00 -4.066201149e+00 3.04 -4.001715299e+00 -4.001715299e+00 3.06 -3.935511399e+00 -3.935511399e+00 3.08 -3.867924171e+00 -3.867924171e+00 3.10 -3.799248689e+00 -3.799248689e+00 3.12 -3.729735407e+00 -3.729735407e+00 3.14 -3.659591014e+00 -3.659591014e+00 3.16 -3.588983328e+00 -3.588983328e+00 3.18 -3.518049823e+00 -3.518049823e+00 3.20 -3.446906209e+00 -3.446906209e+00 3.22 -3.375653819e+00 -3.375653819e+00 3.24 -3.304384911e+00 -3.304384911e+00 3.26 -3.233185838e+00 -3.233185838e+00 3.28 -3.162138527e+00 -3.162138527e+00 3.30 -3.091320823e+00 -3.091320823e+00 3.32 -3.020806240e+00 -3.020806240e+00 3.34 -2.950663547e+00 -2.950663547e+00 3.36 -2.880956490e+00 -2.880956490e+00 3.38 -2.811743900e+00 -2.811743900e+00 3.40 -2.743080307e+00 -2.743080307e+00 3.42 -2.675017309e+00 -2.675017309e+00 3.44 -2.607605257e+00 -2.607605257e+00 3.46 -2.540895670e+00 -2.540895670e+00 3.48 -2.474943551e+00 -2.474943551e+00 3.50 -2.409809264e+00 -2.409809264e+00 3.52 -2.345559264e+00 -2.345559264e+00 3.54 -2.282265118e+00 -2.282265118e+00 3.56 -2.220000551e+00 -2.220000551e+00 3.58 -2.158836774e+00 -2.158836774e+00 3.60 -2.098836946e+00 -2.098836946e+00 3.62 -2.040050936e+00 -2.040050936e+00 3.64 -1.982511583e+00 -1.982511583e+00 3.66 -1.926233211e+00 -1.926233211e+00 3.68 -1.871212541e+00 -1.871212541e+00 3.70 -1.817431586e+00 -1.817431586e+00 3.72 -1.764861758e+00 -1.764861758e+00 3.74 -1.713468396e+00 -1.713468396e+00 3.76 -1.663215042e+00 -1.663215042e+00 3.78 -1.614067046e+00 -1.614067046e+00 3.80 -1.565994236e+00 -1.565994236e+00 3.82 -1.518972588e+00 -1.518972588e+00 3.84 -1.472984881e+00 -1.472984881e+00 3.86 -1.428020411e+00 -1.428020411e+00 3.88 -1.384073917e+00 -1.384073917e+00 3.90 -1.341143922e+00 -1.341143922e+00 3.92 -1.299230751e+00 -1.299230751e+00 3.94 -1.258334820e+00 -1.258334820e+00 3.96 -1.218454730e+00 -1.218454730e+00 3.98 -1.179586434e+00 -1.179586434e+00 4.00 -1.141722747e+00 -1.141722747e+00 4.02 -1.104853468e+00 -1.104853468e+00 4.04 -1.068965927e+00 -1.068965927e+00 4.06 -1.034045716e+00 -1.034045716e+00 4.08 -1.000077388e+00 -1.000077388e+00 4.10 -9.670448338e-01 -9.670448338e-01 4.12 -9.349319374e-01 -9.349319374e-01 4.14 -9.037216325e-01 -9.037216325e-01 4.16 -8.733960128e-01 -8.733960128e-01 4.18 -8.439356095e-01 -8.439356095e-01 4.20 -8.153188362e-01 -8.153188362e-01 4.22 -7.875216122e-01 -7.875216122e-01 4.24 -7.605172826e-01 -7.605172826e-01 4.26 -7.342769004e-01 -7.342769004e-01 4.28 -7.087698702e-01 -7.087698702e-01 4.30 -6.839648964e-01 -6.839648964e-01 4.32 -6.598311359e-01 -6.598311359e-01 4.34 -6.363394318e-01 -6.363394318e-01 4.36 -6.134634903e-01 -6.134634903e-01 4.38 -5.911808732e-01 -5.911808732e-01 4.40 -5.694736872e-01 -5.694736872e-01 4.42 -5.483288839e-01 -5.483288839e-01 4.44 -5.277381180e-01 -5.277381180e-01 4.46 -5.076971630e-01 -5.076971630e-01 4.48 -4.882049416e-01 -4.882049416e-01 4.50 -4.692622806e-01 -4.692622806e-01 4.52 -4.508705496e-01 -4.508705496e-01 4.54 -4.330303620e-01 -4.330303620e-01 4.56 -4.157405081e-01 -4.157405081e-01 4.58 -3.989972525e-01 -3.989972525e-01 4.60 -3.827940636e-01 -3.827940636e-01 4.62 -3.671217700e-01 -3.671217700e-01 4.64 -3.519690731e-01 -3.519690731e-01 4.66 -3.373232945e-01 -3.373232945e-01 4.68 -3.231712140e-01 -3.231712140e-01 4.70 -3.094998579e-01 -3.094998579e-01 4.72 -2.962971224e-01 -2.962971224e-01 4.74 -2.835521586e-01 -2.835521586e-01 4.76 -2.712554946e-01 -2.712554946e-01 4.78 -2.593989161e-01 -2.593989161e-01 4.80 -2.479750829e-01 -2.479750829e-01 4.82 -2.369774772e-01 -2.369774772e-01 4.84 -2.263994619e-01 -2.263994619e-01 4.86 -2.162343345e-01 -2.162343345e-01 4.88 -2.064750368e-01 -2.064750368e-01 4.90 -1.971141178e-01 -1.971141178e-01 4.92 -1.881438364e-01 -1.881438364e-01 4.94 -1.795563544e-01 -1.795563544e-01 4.96 -1.713439552e-01 -1.713439552e-01 4.98 -1.634992157e-01 -1.634992157e-01 5.00 -1.560150713e-01 -1.560150713e-01 5.02 -1.488847399e-01 -1.488847399e-01 5.04 -1.421014999e-01 -1.421014999e-01 5.06 -1.356583533e-01 -1.356583533e-01 5.08 -1.295476316e-01 -1.295476316e-01 5.10 -1.237606099e-01 -1.237606099e-01 5.12 -1.182871920e-01 -1.182871920e-01 5.14 -1.131153375e-01 -1.131153375e-01 5.16 -1.082318182e-01 -1.082318182e-01 5.18 -1.036222123e-01 -1.036222123e-01 5.20 -9.927071035e-02 -9.927071035e-02 5.22 -9.516048274e-02 -9.516048274e-02 5.24 -9.127407828e-02 -9.127407828e-02 5.26 -8.759381628e-02 -8.759381628e-02 5.28 -8.410213988e-02 -8.410213988e-02 5.30 -8.078191109e-02 -8.078191109e-02 5.32 -7.761663864e-02 -7.761663864e-02 5.34 -7.459063870e-02 -7.459063870e-02 5.36 -7.168913554e-02 -7.168913554e-02 5.38 -6.889831266e-02 -6.889831266e-02 5.40 -6.620532696e-02 -6.620532696e-02 5.42 -6.359829874e-02 -6.359829874e-02 5.44 -6.106628902e-02 -6.106628902e-02 5.46 -5.859927468e-02 -5.859927468e-02 5.48 -5.618812961e-02 -5.618812961e-02 5.50 -5.382461853e-02 -5.382461853e-02 5.52 -5.150140804e-02 -5.150140804e-02 5.54 -4.921209745e-02 -4.921209745e-02 5.56 -4.695126999e-02 -4.695126999e-02 5.58 -4.471456231e-02 -4.471456231e-02 5.60 -4.249874828e-02 -4.249874828e-02 5.62 -4.030182973e-02 -4.030182973e-02 5.64 -3.812312471e-02 -3.812312471e-02 5.66 -3.596334121e-02 -3.596334121e-02 5.68 -3.382462005e-02 -3.382462005e-02 5.70 -3.171053629e-02 -3.171053629e-02 5.72 -2.962604274e-02 -2.962604274e-02 5.74 -2.757734503e-02 -2.757734503e-02 5.76 -2.557170284e-02 -2.557170284e-02 5.78 -2.361715845e-02 -2.361715845e-02 5.80 -2.172220535e-02 -2.172220535e-02 5.82 -1.989540877e-02 -1.989540877e-02 5.84 -1.814500778e-02 -1.814500778e-02 5.86 -1.647852847e-02 -1.647852847e-02 5.88 -1.490243753e-02 -1.490243753e-02 5.90 -1.342186251e-02 -1.342186251e-02 5.92 -1.204032769e-02 -1.204032769e-02 5.94 -1.075963175e-02 -1.075963175e-02 5.96 -9.580227681e-03 -9.580227681e-03 5.98 -8.501004013e-03 -8.501004013e-03 6.00 -7.519424864e-03 -7.519424864e-03