# 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 = AlCoMo2 # 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 1.918139014e+02 1.918139014e+02 1.30 1.772919221e+02 1.772919221e+02 1.32 1.638730508e+02 1.638730508e+02 1.34 1.514605353e+02 1.514605353e+02 1.36 1.399660454e+02 1.399660454e+02 1.38 1.293106963e+02 1.293106963e+02 1.40 1.194250271e+02 1.194250271e+02 1.42 1.102477291e+02 1.102477291e+02 1.44 1.017236976e+02 1.017236976e+02 1.46 9.380247150e+01 9.380247150e+01 1.48 8.643786116e+01 8.643786116e+01 1.50 7.958845631e+01 7.958845631e+01 1.52 7.321792430e+01 7.321792430e+01 1.54 6.729449140e+01 6.729449140e+01 1.56 6.178989470e+01 6.178989470e+01 1.58 5.667829230e+01 5.667829230e+01 1.60 5.193534028e+01 5.193534028e+01 1.62 4.753747132e+01 4.753747132e+01 1.64 4.346141521e+01 4.346141521e+01 1.66 3.968404571e+01 3.968404571e+01 1.68 3.618260581e+01 3.618260581e+01 1.70 3.293520458e+01 3.293520458e+01 1.72 2.992265867e+01 2.992265867e+01 1.74 2.713029074e+01 2.713029074e+01 1.76 2.454079034e+01 2.454079034e+01 1.78 2.213905367e+01 2.213905367e+01 1.80 1.991333015e+01 1.991333015e+01 1.82 1.785151283e+01 1.785151283e+01 1.84 1.594237926e+01 1.594237926e+01 1.86 1.417601942e+01 1.417601942e+01 1.88 1.254355027e+01 1.254355027e+01 1.90 1.103678463e+01 1.103678463e+01 1.92 9.647916649e+00 9.647916649e+00 1.94 8.369295711e+00 8.369295711e+00 1.96 7.193336311e+00 7.193336311e+00 1.98 6.112559543e+00 6.112559543e+00 2.00 5.119711803e+00 5.119711803e+00 2.02 4.207885838e+00 4.207885838e+00 2.04 3.370583671e+00 3.370583671e+00 2.06 2.601703485e+00 2.601703485e+00 2.08 1.895481217e+00 1.895481217e+00 2.10 1.246441245e+00 1.246441245e+00 2.12 6.493964920e-01 6.493964920e-01 2.14 9.950357738e-02 9.950357738e-02 2.16 -4.076515881e-01 -4.076515881e-01 2.18 -8.759747954e-01 -8.759747954e-01 2.20 -1.308822451e+00 -1.308822451e+00 2.22 -1.709012973e+00 -1.709012973e+00 2.24 -2.078885844e+00 -2.078885844e+00 2.26 -2.420389853e+00 -2.420389853e+00 2.28 -2.735178325e+00 -2.735178325e+00 2.30 -3.024693853e+00 -3.024693853e+00 2.32 -3.290233715e+00 -3.290233715e+00 2.34 -3.532994589e+00 -3.532994589e+00 2.36 -3.754100398e+00 -3.754100398e+00 2.38 -3.954618692e+00 -3.954618692e+00 2.40 -4.135570815e+00 -4.135570815e+00 2.42 -4.297939424e+00 -4.297939424e+00 2.44 -4.442675014e+00 -4.442675014e+00 2.46 -4.570685045e+00 -4.570685045e+00 2.48 -4.682624459e+00 -4.682624459e+00 2.50 -4.779507366e+00 -4.779507366e+00 2.52 -4.862453205e+00 -4.862453205e+00 2.54 -4.932541851e+00 -4.932541851e+00 2.56 -4.990825433e+00 -4.990825433e+00 2.58 -5.038332957e+00 -5.038332957e+00 2.60 -5.076061402e+00 -5.076061402e+00 2.62 -5.104942102e+00 -5.104942102e+00 2.64 -5.125536953e+00 -5.125536953e+00 2.66 -5.138028152e+00 -5.138028152e+00 2.68 -5.142574784e+00 -5.142574784e+00 2.70 -5.139331877e+00 -5.139331877e+00 2.72 -5.128376984e+00 -5.128376984e+00 2.74 -5.109781007e+00 -5.109781007e+00 2.76 -5.083629600e+00 -5.083629600e+00 2.78 -5.050036884e+00 -5.050036884e+00 2.80 -5.009156566e+00 -5.009156566e+00 2.82 -4.961190563e+00 -4.961190563e+00 2.84 -4.906794982e+00 -4.906794982e+00 2.86 -4.846611531e+00 -4.846611531e+00 2.88 -4.780749268e+00 -4.780749268e+00 2.90 -4.709404270e+00 -4.709404270e+00 2.92 -4.632891144e+00 -4.632891144e+00 2.94 -4.551636394e+00 -4.551636394e+00 2.96 -4.466164710e+00 -4.466164710e+00 2.98 -4.377078733e+00 -4.377078733e+00 3.00 -4.285036429e+00 -4.285036429e+00 3.02 -4.190731480e+00 -4.190731480e+00 3.04 -4.094843621e+00 -4.094843621e+00 3.06 -3.997997556e+00 -3.997997556e+00 3.08 -3.900731206e+00 -3.900731206e+00 3.10 -3.803471188e+00 -3.803471188e+00 3.12 -3.706518528e+00 -3.706518528e+00 3.14 -3.610046194e+00 -3.610046194e+00 3.16 -3.514107940e+00 -3.514107940e+00 3.18 -3.418656636e+00 -3.418656636e+00 3.20 -3.323568894e+00 -3.323568894e+00 3.22 -3.228672845e+00 -3.228672845e+00 3.24 -3.133776330e+00 -3.133776330e+00 3.26 -3.038693558e+00 -3.038693558e+00 3.28 -2.943269053e+00 -2.943269053e+00 3.30 -2.847398200e+00 -2.847398200e+00 3.32 -2.751043979e+00 -2.751043979e+00 3.34 -2.654249420e+00 -2.654249420e+00 3.36 -2.557145216e+00 -2.557145216e+00 3.38 -2.459951868e+00 -2.459951868e+00 3.40 -2.362975755e+00 -2.362975755e+00 3.42 -2.266598894e+00 -2.266598894e+00 3.44 -2.171262613e+00 -2.171262613e+00 3.46 -2.077446138e+00 -2.077446138e+00 3.48 -1.985641757e+00 -1.985641757e+00 3.50 -1.896328766e+00 -1.896328766e+00 3.52 -1.809948687e+00 -1.809948687e+00 3.54 -1.726884042e+00 -1.726884042e+00 3.56 -1.647442483e+00 -1.647442483e+00 3.58 -1.571847296e+00 -1.571847296e+00 3.60 -1.500234425e+00 -1.500234425e+00 3.62 -1.432655414e+00 -1.432655414e+00 3.64 -1.369085083e+00 -1.369085083e+00 3.66 -1.309432475e+00 -1.309432475e+00 3.68 -1.253553558e+00 -1.253553558e+00 3.70 -1.201264360e+00 -1.201264360e+00 3.72 -1.152353468e+00 -1.152353468e+00 3.74 -1.106593182e+00 -1.106593182e+00 3.76 -1.063748925e+00 -1.063748925e+00 3.78 -1.023586753e+00 -1.023586753e+00 3.80 -9.858790318e-01 -9.858790318e-01 3.82 -9.504084530e-01 -9.504084530e-01 3.84 -9.169706314e-01 -9.169706314e-01 3.86 -8.853755533e-01 -8.853755533e-01 3.88 -8.554481311e-01 -8.554481311e-01 3.90 -8.270280985e-01 -8.270280985e-01 3.92 -7.999694429e-01 -7.999694429e-01 3.94 -7.741395613e-01 -7.741395613e-01 3.96 -7.494182236e-01 -7.494182236e-01 3.98 -7.256965185e-01 -7.256965185e-01 4.00 -7.028758137e-01 -7.028758137e-01 4.02 -6.808668173e-01 -6.808668173e-01 4.04 -6.595887882e-01 -6.595887882e-01 4.06 -6.389689340e-01 -6.389689340e-01 4.08 -6.189420231e-01 -6.189420231e-01 4.10 -5.994502130e-01 -5.994502130e-01 4.12 -5.804431640e-01 -5.804431640e-01 4.14 -5.618782237e-01 -5.618782237e-01 4.16 -5.437208896e-01 -5.437208896e-01 4.18 -5.259452605e-01 -5.259452605e-01 4.20 -5.085344450e-01 -5.085344450e-01 4.22 -4.914807624e-01 -4.914807624e-01 4.24 -4.747855790e-01 -4.747855790e-01 4.26 -4.584586458e-01 -4.584586458e-01 4.28 -4.425168424e-01 -4.425168424e-01 4.30 -4.269823238e-01 -4.269823238e-01 4.32 -4.118801740e-01 -4.118801740e-01 4.34 -3.972357519e-01 -3.972357519e-01 4.36 -3.830719997e-01 -3.830719997e-01 4.38 -3.694067912e-01 -3.694067912e-01 4.40 -3.562514482e-01 -3.562514482e-01 4.42 -3.436094677e-01 -3.436094677e-01 4.44 -3.314757349e-01 -3.314757349e-01 4.46 -3.198367365e-01 -3.198367365e-01 4.48 -3.086713292e-01 -3.086713292e-01 4.50 -2.979518884e-01 -2.979518884e-01 4.52 -2.876456528e-01 -2.876456528e-01 4.54 -2.777161080e-01 -2.777161080e-01 4.56 -2.681242900e-01 -2.681242900e-01 4.58 -2.588299399e-01 -2.588299399e-01 4.60 -2.497924797e-01 -2.497924797e-01 4.62 -2.409717320e-01 -2.409717320e-01 4.64 -2.323286348e-01 -2.323286348e-01 4.66 -2.238260664e-01 -2.238260664e-01 4.68 -2.154290128e-01 -2.154290128e-01 4.70 -2.071050727e-01 -2.071050727e-01 4.72 -1.988249913e-01 -1.988249913e-01 4.74 -1.905632385e-01 -1.905632385e-01 4.76 -1.822986488e-01 -1.822986488e-01 4.78 -1.740151205e-01 -1.740151205e-01 4.80 -1.657023455e-01 -1.657023455e-01 4.82 -1.573565567e-01 -1.573565567e-01 4.84 -1.489811385e-01 -1.489811385e-01 4.86 -1.405871323e-01 -1.405871323e-01 4.88 -1.321934492e-01 -1.321934492e-01 4.90 -1.238267325e-01 -1.238267325e-01 4.92 -1.155207877e-01 -1.155207877e-01 4.94 -1.073155381e-01 -1.073155381e-01 4.96 -9.925551687e-02 -9.925551687e-02 4.98 -9.138796397e-02 -9.138796397e-02 5.00 -8.376065496e-02 -8.376065496e-02 5.02 -7.641963313e-02 -7.641963313e-02 5.04 -6.940703807e-02 -6.940703807e-02 5.06 -6.275921660e-02 -6.275921660e-02 5.08 -5.650526685e-02 -5.650526685e-02 5.10 -5.066611099e-02 -5.066611099e-02 5.12 -4.525412565e-02 -4.525412565e-02 5.14 -4.027331419e-02 -4.027331419e-02 5.16 -3.571990774e-02 -3.571990774e-02 5.18 -3.158331006e-02 -3.158331006e-02 5.20 -2.784724561e-02 -2.784724561e-02 5.22 -2.449101470e-02 -2.449101470e-02 5.24 -2.149075066e-02 -2.149075066e-02 5.26 -1.882057653e-02 -1.882057653e-02 5.28 -1.645354592e-02 -1.645354592e-02 5.30 -1.436224953e-02 -1.436224953e-02 5.32 -1.252051143e-02 -1.252051143e-02 5.34 -1.090318212e-02 -1.090318212e-02 5.36 -9.486416506e-03 -9.486416506e-03 5.38 -8.247959147e-03 -8.247959147e-03 5.40 -7.167304798e-03 -7.167304798e-03 5.42 -6.225761997e-03 -6.225761997e-03 5.44 -5.406444314e-03 -5.406444314e-03 5.46 -4.694210128e-03 -4.694210128e-03 5.48 -4.075567881e-03 -4.075567881e-03 5.50 -3.538560178e-03 -3.538560178e-03 5.52 -3.072636906e-03 -3.072636906e-03 5.54 -2.668524870e-03 -2.668524870e-03 5.56 -2.318099240e-03 -2.318099240e-03 5.58 -2.014260403e-03 -2.014260403e-03 5.60 -1.750818494e-03 -1.750818494e-03 5.62 -1.522386861e-03 -1.522386861e-03 5.64 -1.324285035e-03 -1.324285035e-03 5.66 -1.152451241e-03 -1.152451241e-03 5.68 -1.003364176e-03 -1.003364176e-03 5.70 -8.739735213e-04 -8.739735213e-04 5.72 -7.616385692e-04 -7.616385692e-04 5.74 -6.640742553e-04 -6.640742553e-04 5.76 -5.793038858e-04 -5.793038858e-04 5.78 -5.056178559e-04 -5.056178559e-04 5.80 -4.415376958e-04 -4.415376958e-04 5.82 -3.857848211e-04 -3.857848211e-04 5.84 -3.372534228e-04 -3.372534228e-04 5.86 -2.949869786e-04 -2.949869786e-04 5.88 -2.581579292e-04 -2.581579292e-04 5.90 -2.260501059e-04 -2.260501059e-04 5.92 -1.980435510e-04 -1.980435510e-04 5.94 -1.736014098e-04 -1.736014098e-04 5.96 -1.522586178e-04 -1.522586178e-04 5.98 -1.336121390e-04 -1.336121390e-04 6.00 -1.173125445e-04 -1.173125445e-04