# 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 = CoTa2Zr # 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 3.240946575e+02 3.240946575e+02 1.30 3.004537543e+02 3.004537543e+02 1.32 2.785639327e+02 2.785639327e+02 1.34 2.582839051e+02 2.582839051e+02 1.36 2.394855116e+02 2.394855116e+02 1.38 2.220524939e+02 2.220524939e+02 1.40 2.058794361e+02 2.058794361e+02 1.42 1.908705835e+02 1.908705835e+02 1.44 1.769382951e+02 1.769382951e+02 1.46 1.640013492e+02 1.640013492e+02 1.48 1.519835637e+02 1.519835637e+02 1.50 1.408130188e+02 1.408130188e+02 1.52 1.304220226e+02 1.304220226e+02 1.54 1.207476904e+02 1.207476904e+02 1.56 1.117328525e+02 1.117328525e+02 1.58 1.033266678e+02 1.033266678e+02 1.60 9.548451199e+01 9.548451199e+01 1.62 8.816714695e+01 8.816714695e+01 1.64 8.133962174e+01 8.133962174e+01 1.66 7.497026040e+01 7.497026040e+01 1.68 6.902993506e+01 6.902993506e+01 1.70 6.349161442e+01 6.349161442e+01 1.72 5.832999761e+01 5.832999761e+01 1.74 5.352119638e+01 5.352119638e+01 1.76 4.904248411e+01 4.904248411e+01 1.78 4.487218145e+01 4.487218145e+01 1.80 4.098964832e+01 4.098964832e+01 1.82 3.737532575e+01 3.737532575e+01 1.84 3.401076419e+01 3.401076419e+01 1.86 3.087868151e+01 3.087868151e+01 1.88 2.796297556e+01 2.796297556e+01 1.90 2.524867218e+01 2.524867218e+01 1.92 2.272179489e+01 2.272179489e+01 1.94 2.036918485e+01 2.036918485e+01 1.96 1.818207442e+01 1.818207442e+01 1.98 1.615421161e+01 1.615421161e+01 2.00 1.427374028e+01 1.427374028e+01 2.02 1.252989534e+01 1.252989534e+01 2.04 1.091260932e+01 1.091260932e+01 2.06 9.412439688e+00 9.412439688e+00 2.08 8.020938153e+00 8.020938153e+00 2.10 6.730581384e+00 6.730581384e+00 2.12 5.534640221e+00 5.534640221e+00 2.14 4.427038714e+00 4.427038714e+00 2.16 3.402233787e+00 3.402233787e+00 2.18 2.455115055e+00 2.455115055e+00 2.20 1.580931751e+00 1.580931751e+00 2.22 7.752190861e-01 7.752190861e-01 2.24 3.373980418e-02 3.373980418e-02 2.26 -6.475608288e-01 -6.475608288e-01 2.28 -1.272595221e+00 -1.272595221e+00 2.30 -1.845141469e+00 -1.845141469e+00 2.32 -2.368872245e+00 -2.368872245e+00 2.34 -2.847343438e+00 -2.847343438e+00 2.36 -3.283989463e+00 -3.283989463e+00 2.38 -3.682093297e+00 -3.682093297e+00 2.40 -4.044750331e+00 -4.044750331e+00 2.42 -4.374838563e+00 -4.374838563e+00 2.44 -4.674994020e+00 -4.674994020e+00 2.46 -4.947608699e+00 -4.947608699e+00 2.48 -5.194837575e+00 -5.194837575e+00 2.50 -5.418615371e+00 -5.418615371e+00 2.52 -5.620678644e+00 -5.620678644e+00 2.54 -5.802590378e+00 -5.802590378e+00 2.56 -5.965764559e+00 -5.965764559e+00 2.58 -6.111488350e+00 -6.111488350e+00 2.60 -6.240940066e+00 -6.240940066e+00 2.62 -6.355200365e+00 -6.355200365e+00 2.64 -6.455268438e+00 -6.455268438e+00 2.66 -6.542056185e+00 -6.542056185e+00 2.68 -6.616403266e+00 -6.616403266e+00 2.70 -6.678996612e+00 -6.678996612e+00 2.72 -6.730468847e+00 -6.730468847e+00 2.74 -6.771624784e+00 -6.771624784e+00 2.76 -6.803200568e+00 -6.803200568e+00 2.78 -6.825864622e+00 -6.825864622e+00 2.80 -6.840277211e+00 -6.840277211e+00 2.82 -6.846965867e+00 -6.846965867e+00 2.84 -6.846381165e+00 -6.846381165e+00 2.86 -6.838944268e+00 -6.838944268e+00 2.88 -6.824989175e+00 -6.824989175e+00 2.90 -6.804576642e+00 -6.804576642e+00 2.92 -6.777744964e+00 -6.777744964e+00 2.94 -6.744586533e+00 -6.744586533e+00 2.96 -6.705237858e+00 -6.705237858e+00 2.98 -6.659829525e+00 -6.659829525e+00 3.00 -6.608457633e+00 -6.608457633e+00 3.02 -6.551206775e+00 -6.551206775e+00 3.04 -6.488195074e+00 -6.488195074e+00 3.06 -6.419569150e+00 -6.419569150e+00 3.08 -6.345482386e+00 -6.345482386e+00 3.10 -6.266095957e+00 -6.266095957e+00 3.12 -6.181571912e+00 -6.181571912e+00 3.14 -6.092086878e+00 -6.092086878e+00 3.16 -5.997817056e+00 -5.997817056e+00 3.18 -5.898930044e+00 -5.898930044e+00 3.20 -5.795621236e+00 -5.795621236e+00 3.22 -5.688147379e+00 -5.688147379e+00 3.24 -5.576837168e+00 -5.576837168e+00 3.26 -5.462097929e+00 -5.462097929e+00 3.28 -5.344415661e+00 -5.344415661e+00 3.30 -5.224346083e+00 -5.224346083e+00 3.32 -5.102495646e+00 -5.102495646e+00 3.34 -4.979493617e+00 -4.979493617e+00 3.36 -4.855958683e+00 -4.855958683e+00 3.38 -4.732465061e+00 -4.732465061e+00 3.40 -4.609512502e+00 -4.609512502e+00 3.42 -4.487508640e+00 -4.487508640e+00 3.44 -4.366753328e+00 -4.366753328e+00 3.46 -4.247441228e+00 -4.247441228e+00 3.48 -4.129667831e+00 -4.129667831e+00 3.50 -4.013441926e+00 -4.013441926e+00 3.52 -3.898701288e+00 -3.898701288e+00 3.54 -3.785329730e+00 -3.785329730e+00 3.56 -3.673174255e+00 -3.673174255e+00 3.58 -3.562061566e+00 -3.562061566e+00 3.60 -3.451813582e+00 -3.451813582e+00 3.62 -3.342261858e+00 -3.342261858e+00 3.64 -3.233260902e+00 -3.233260902e+00 3.66 -3.124700355e+00 -3.124700355e+00 3.68 -3.016515898e+00 -3.016515898e+00 3.70 -2.908698569e+00 -2.908698569e+00 3.72 -2.801302013e+00 -2.801302013e+00 3.74 -2.694447063e+00 -2.694447063e+00 3.76 -2.588322988e+00 -2.588322988e+00 3.78 -2.483184826e+00 -2.483184826e+00 3.80 -2.379346406e+00 -2.379346406e+00 3.82 -2.277168983e+00 -2.277168983e+00 3.84 -2.177045843e+00 -2.177045843e+00 3.86 -2.079383703e+00 -2.079383703e+00 3.88 -1.984582244e+00 -1.984582244e+00 3.90 -1.893013464e+00 -1.893013464e+00 3.92 -1.805001478e+00 -1.805001478e+00 3.94 -1.720812531e+00 -1.720812531e+00 3.96 -1.640635989e+00 -1.640635989e+00 3.98 -1.564585501e+00 -1.564585501e+00 4.00 -1.492698130e+00 -1.492698130e+00 4.02 -1.424939915e+00 -1.424939915e+00 4.04 -1.361215034e+00 -1.361215034e+00 4.06 -1.301377167e+00 -1.301377167e+00 4.08 -1.245241703e+00 -1.245241703e+00 4.10 -1.192592201e+00 -1.192592201e+00 4.12 -1.143214383e+00 -1.143214383e+00 4.14 -1.096869154e+00 -1.096869154e+00 4.16 -1.053325985e+00 -1.053325985e+00 4.18 -1.012362082e+00 -1.012362082e+00 4.20 -9.737667610e-01 -9.737667610e-01 4.22 -9.373443354e-01 -9.373443354e-01 4.24 -9.029157111e-01 -9.029157111e-01 4.26 -8.703188627e-01 -8.703188627e-01 4.28 -8.394083907e-01 -8.394083907e-01 4.30 -8.100543675e-01 -8.100543675e-01 4.32 -7.821406968e-01 -7.821406968e-01 4.34 -7.555632239e-01 -7.555632239e-01 4.36 -7.302278238e-01 -7.302278238e-01 4.38 -7.060486567e-01 -7.060486567e-01 4.40 -6.829467235e-01 -6.829467235e-01 4.42 -6.608487781e-01 -6.608487781e-01 4.44 -6.396865823e-01 -6.396865823e-01 4.46 -6.193964475e-01 -6.193964475e-01 4.48 -5.999189716e-01 -5.999189716e-01 4.50 -5.811987707e-01 -5.811987707e-01 4.52 -5.631844242e-01 -5.631844242e-01 4.54 -5.458287857e-01 -5.458287857e-01 4.56 -5.290883206e-01 -5.290883206e-01 4.58 -5.129229360e-01 -5.129229360e-01 4.60 -4.972957865e-01 -4.972957865e-01 4.62 -4.821730472e-01 -4.821730472e-01 4.64 -4.675236790e-01 -4.675236790e-01 4.66 -4.533192066e-01 -4.533192066e-01 4.68 -4.395335259e-01 -4.395335259e-01 4.70 -4.261427540e-01 -4.261427540e-01 4.72 -4.131251284e-01 -4.131251284e-01 4.74 -4.004609609e-01 -4.004609609e-01 4.76 -3.881326427e-01 -3.881326427e-01 4.78 -3.761246949e-01 -3.761246949e-01 4.80 -3.644206731e-01 -3.644206731e-01 4.82 -3.530165115e-01 -3.530165115e-01 4.84 -3.418998159e-01 -3.418998159e-01 4.86 -3.310644323e-01 -3.310644323e-01 4.88 -3.205065605e-01 -3.205065605e-01 4.90 -3.102245877e-01 -3.102245877e-01 4.92 -3.002187891e-01 -3.002187891e-01 4.94 -2.904908888e-01 -2.904908888e-01 4.96 -2.810434991e-01 -2.810434991e-01 4.98 -2.718794736e-01 -2.718794736e-01 5.00 -2.630012347e-01 -2.630012347e-01 5.02 -2.544101384e-01 -2.544101384e-01 5.04 -2.461059444e-01 -2.461059444e-01 5.06 -2.380864421e-01 -2.380864421e-01 5.08 -2.303472621e-01 -2.303472621e-01 5.10 -2.228818766e-01 -2.228818766e-01 5.12 -2.156817691e-01 -2.156817691e-01 5.14 -2.087367351e-01 -2.087367351e-01 5.16 -2.020352690e-01 -2.020352690e-01 5.18 -1.955649913e-01 -1.955649913e-01 5.20 -1.893130777e-01 -1.893130777e-01 5.22 -1.832666611e-01 -1.832666611e-01 5.24 -1.774131901e-01 -1.774131901e-01 5.26 -1.717407338e-01 -1.717407338e-01 5.28 -1.662382328e-01 -1.662382328e-01 5.30 -1.608956975e-01 -1.608956975e-01 5.32 -1.557043570e-01 -1.557043570e-01 5.34 -1.506567615e-01 -1.506567615e-01 5.36 -1.457468368e-01 -1.457468368e-01 5.38 -1.409698913e-01 -1.409698913e-01 5.40 -1.363225708e-01 -1.363225708e-01 5.42 -1.318027586e-01 -1.318027586e-01 5.44 -1.274094208e-01 -1.274094208e-01 5.46 -1.231423990e-01 -1.231423990e-01 5.48 -1.190021586e-01 -1.190021586e-01 5.50 -1.149895070e-01 -1.149895070e-01 5.52 -1.111053008e-01 -1.111053008e-01 5.54 -1.073501626e-01 -1.073501626e-01 5.56 -1.037242299e-01 -1.037242299e-01 5.58 -1.002269545e-01 -1.002269545e-01 5.60 -9.685688810e-02 -9.685688810e-02 5.62 -9.361172720e-02 -9.361172720e-02 5.64 -9.048838672e-02 -9.048838672e-02 5.66 -8.748291527e-02 -8.748291527e-02 5.68 -8.459059908e-02 -8.459059908e-02 5.70 -8.180609513e-02 -8.180609513e-02 5.72 -7.912357754e-02 -7.912357754e-02 5.74 -7.653688360e-02 -7.653688360e-02 5.76 -7.403964939e-02 -7.403964939e-02 5.78 -7.162542831e-02 -7.162542831e-02 5.80 -6.928778932e-02 -6.928778932e-02 5.82 -6.702039418e-02 -6.702039418e-02 5.84 -6.481705547e-02 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