# 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 = AlMoW2 # 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 3.115513696e+02 3.115513696e+02 1.30 2.881274728e+02 2.881274728e+02 1.32 2.665104499e+02 2.665104499e+02 1.34 2.465404990e+02 2.465404990e+02 1.36 2.280687983e+02 2.280687983e+02 1.38 2.109596108e+02 2.109596108e+02 1.40 1.950922841e+02 1.950922841e+02 1.42 1.803614911e+02 1.803614911e+02 1.44 1.666754192e+02 1.666754192e+02 1.46 1.539530471e+02 1.539530471e+02 1.48 1.421221012e+02 1.421221012e+02 1.50 1.311182621e+02 1.311182621e+02 1.52 1.208848892e+02 1.208848892e+02 1.54 1.113723542e+02 1.113723542e+02 1.56 1.025367989e+02 1.025367989e+02 1.58 9.433859431e+01 9.433859431e+01 1.60 8.674075970e+01 8.674075970e+01 1.62 7.970752642e+01 7.970752642e+01 1.64 7.320324652e+01 7.320324652e+01 1.66 6.719185558e+01 6.719185558e+01 1.68 6.163699098e+01 6.163699098e+01 1.70 5.650263355e+01 5.650263355e+01 1.72 5.175392551e+01 5.175392551e+01 1.74 4.735783690e+01 4.735783690e+01 1.76 4.328359187e+01 4.328359187e+01 1.78 3.950296279e+01 3.950296279e+01 1.80 3.599053676e+01 3.599053676e+01 1.82 3.272394251e+01 3.272394251e+01 1.84 2.968395744e+01 2.968395744e+01 1.86 2.685530821e+01 2.685530821e+01 1.88 2.422476283e+01 2.422476283e+01 1.90 2.178063184e+01 2.178063184e+01 1.92 1.951436846e+01 1.951436846e+01 1.94 1.741673677e+01 1.741673677e+01 1.96 1.547880341e+01 1.547880341e+01 1.98 1.369030309e+01 1.369030309e+01 2.00 1.204102050e+01 1.204102050e+01 2.02 1.052094022e+01 1.052094022e+01 2.04 9.120319207e+00 9.120319207e+00 2.06 7.829710935e+00 7.829710935e+00 2.08 6.639958260e+00 6.639958260e+00 2.10 5.542206464e+00 5.542206464e+00 2.12 4.527979953e+00 4.527979953e+00 2.14 3.589326907e+00 3.589326907e+00 2.16 2.718995270e+00 2.718995270e+00 2.18 1.910583906e+00 1.910583906e+00 2.20 1.158620977e+00 1.158620977e+00 2.22 4.585487650e-01 4.585487650e-01 2.24 -1.933748499e-01 -1.933748499e-01 2.26 -8.002269165e-01 -8.002269165e-01 2.28 -1.364584925e+00 -1.364584925e+00 2.30 -1.888677430e+00 -1.888677430e+00 2.32 -2.374503418e+00 -2.374503418e+00 2.34 -2.823916319e+00 -2.823916319e+00 2.36 -3.238677337e+00 -3.238677337e+00 2.38 -3.620485983e+00 -3.620485983e+00 2.40 -3.970995943e+00 -3.970995943e+00 2.42 -4.291822382e+00 -4.291822382e+00 2.44 -4.584544344e+00 -4.584544344e+00 2.46 -4.850703887e+00 -4.850703887e+00 2.48 -5.091802447e+00 -5.091802447e+00 2.50 -5.309274983e+00 -5.309274983e+00 2.52 -5.504377637e+00 -5.504377637e+00 2.54 -5.678554759e+00 -5.678554759e+00 2.56 -5.833234779e+00 -5.833234779e+00 2.58 -5.969768446e+00 -5.969768446e+00 2.60 -6.089427196e+00 -6.089427196e+00 2.62 -6.193395258e+00 -6.193395258e+00 2.64 -6.282756743e+00 -6.282756743e+00 2.66 -6.358479416e+00 -6.358479416e+00 2.68 -6.421155611e+00 -6.421155611e+00 2.70 -6.470913589e+00 -6.470913589e+00 2.72 -6.507880329e+00 -6.507880329e+00 2.74 -6.532226177e+00 -6.532226177e+00 2.76 -6.544080800e+00 -6.544080800e+00 2.78 -6.543696644e+00 -6.543696644e+00 2.80 -6.531474218e+00 -6.531474218e+00 2.82 -6.507837922e+00 -6.507837922e+00 2.84 -6.473236704e+00 -6.473236704e+00 2.86 -6.428147365e+00 -6.428147365e+00 2.88 -6.373081230e+00 -6.373081230e+00 2.90 -6.308593559e+00 -6.308593559e+00 2.92 -6.235293689e+00 -6.235293689e+00 2.94 -6.153794856e+00 -6.153794856e+00 2.96 -6.064676696e+00 -6.064676696e+00 2.98 -5.969538069e+00 -5.969538069e+00 3.00 -5.869129792e+00 -5.869129792e+00 3.02 -5.763630390e+00 -5.763630390e+00 3.04 -5.653325732e+00 -5.653325732e+00 3.06 -5.538568408e+00 -5.538568408e+00 3.08 -5.419735332e+00 -5.419735332e+00 3.10 -5.297205732e+00 -5.297205732e+00 3.12 -5.171337736e+00 -5.171337736e+00 3.14 -5.042407111e+00 -5.042407111e+00 3.16 -4.910594591e+00 -4.910594591e+00 3.18 -4.775990513e+00 -4.775990513e+00 3.20 -4.638610460e+00 -4.638610460e+00 3.22 -4.498419223e+00 -4.498419223e+00 3.24 -4.355360066e+00 -4.355360066e+00 3.26 -4.209386562e+00 -4.209386562e+00 3.28 -4.060494771e+00 -4.060494771e+00 3.30 -3.908753958e+00 -3.908753958e+00 3.32 -3.754334239e+00 -3.754334239e+00 3.34 -3.597529531e+00 -3.597529531e+00 3.36 -3.438774006e+00 -3.438774006e+00 3.38 -3.278650194e+00 -3.278650194e+00 3.40 -3.117886965e+00 -3.117886965e+00 3.42 -2.957346204e+00 -2.957346204e+00 3.44 -2.797997821e+00 -2.797997821e+00 3.46 -2.640884112e+00 -2.640884112e+00 3.48 -2.487075779e+00 -2.487075779e+00 3.50 -2.337623272e+00 -2.337623272e+00 3.52 -2.193507897e+00 -2.193507897e+00 3.54 -2.055597362e+00 -2.055597362e+00 3.56 -1.924609855e+00 -1.924609855e+00 3.58 -1.801089599e+00 -1.801089599e+00 3.60 -1.685395250e+00 -1.685395250e+00 3.62 -1.577700900e+00 -1.577700900e+00 3.64 -1.478008034e+00 -1.478008034e+00 3.66 -1.386165863e+00 -1.386165863e+00 3.68 -1.301897027e+00 -1.301897027e+00 3.70 -1.224825698e+00 -1.224825698e+00 3.72 -1.154505568e+00 -1.154505568e+00 3.74 -1.090445760e+00 -1.090445760e+00 3.76 -1.032133431e+00 -1.032133431e+00 3.78 -9.790524149e-01 -9.790524149e-01 3.80 -9.306977561e-01 -9.306977561e-01 3.82 -8.865863690e-01 -8.865863690e-01 3.84 -8.462642532e-01 -8.462642532e-01 3.86 -8.093108279e-01 -8.093108279e-01 3.88 -7.753409607e-01 -7.753409607e-01 3.90 -7.440052480e-01 -7.440052480e-01 3.92 -7.149890278e-01 -7.149890278e-01 3.94 -6.880105695e-01 -6.880105695e-01 3.96 -6.628187043e-01 -6.628187043e-01 3.98 -6.391902633e-01 -6.391902633e-01 4.00 -6.169274403e-01 -6.169274403e-01 4.02 -5.958552543e-01 -5.958552543e-01 4.04 -5.758192218e-01 -5.758192218e-01 4.06 -5.566833354e-01 -5.566833354e-01 4.08 -5.383283559e-01 -5.383283559e-01 4.10 -5.206503325e-01 -5.206503325e-01 4.12 -5.035596569e-01 -5.035596569e-01 4.14 -4.869807853e-01 -4.869807853e-01 4.16 -4.708513367e-01 -4.708513367e-01 4.18 -4.551218442e-01 -4.551218442e-01 4.20 -4.397555955e-01 -4.397555955e-01 4.22 -4.247283771e-01 -4.247283771e-01 4.24 -4.100279750e-01 -4.100279750e-01 4.26 -3.956532943e-01 -3.956532943e-01 4.28 -3.816129916e-01 -3.816129916e-01 4.30 -3.679235791e-01 -3.679235791e-01 4.32 -3.546070428e-01 -3.546070428e-01 4.34 -3.416881107e-01 -3.416881107e-01 4.36 -3.291913862e-01 -3.291913862e-01 4.38 -3.171386071e-01 -3.171386071e-01 4.40 -3.055462889e-01 -3.055462889e-01 4.42 -2.944239605e-01 -2.944239605e-01 4.44 -2.837731142e-01 -2.837731142e-01 4.46 -2.735868871e-01 -2.735868871e-01 4.48 -2.638503993e-01 -2.638503993e-01 4.50 -2.545416161e-01 -2.545416161e-01 4.52 -2.456325350e-01 -2.456325350e-01 4.54 -2.370905417e-01 -2.370905417e-01 4.56 -2.288797776e-01 -2.288797776e-01 4.58 -2.209624391e-01 -2.209624391e-01 4.60 -2.132999098e-01 -2.132999098e-01 4.62 -2.058535981e-01 -2.058535981e-01 4.64 -1.985857772e-01 -1.985857772e-01 4.66 -1.914606801e-01 -1.914606801e-01 4.68 -1.844445260e-01 -1.844445260e-01 4.70 -1.775060229e-01 -1.775060229e-01 4.72 -1.706168551e-01 -1.706168551e-01 4.74 -1.637521616e-01 -1.637521616e-01 4.76 -1.568910278e-01 -1.568910278e-01 4.78 -1.500170019e-01 -1.500170019e-01 4.80 -1.431186190e-01 -1.431186190e-01 4.82 -1.361899431e-01 -1.361899431e-01 4.84 -1.292309934e-01 -1.292309934e-01 4.86 -1.222481191e-01 -1.222481191e-01 4.88 -1.152541637e-01 -1.152541637e-01 4.90 -1.082683879e-01 -1.082683879e-01 4.92 -1.013160901e-01 -1.013160901e-01 4.94 -9.442788375e-02 -9.442788375e-02 4.96 -8.763862946e-02 -8.763862946e-02 4.98 -8.098605326e-02 -8.098605326e-02 5.00 -7.450912661e-02 -7.450912661e-02 5.02 -6.824631786e-02 -6.824631786e-02 5.04 -6.223384892e-02 -6.223384892e-02 5.06 -5.650409636e-02 -5.650409636e-02 5.08 -5.108426249e-02 -5.108426249e-02 5.10 -4.599541129e-02 -4.599541129e-02 5.12 -4.125192099e-02 -4.125192099e-02 5.14 -3.686135912e-02 -3.686135912e-02 5.16 -3.282474358e-02 -3.282474358e-02 5.18 -2.913711895e-02 -2.913711895e-02 5.20 -2.578836203e-02 -2.578836203e-02 5.22 -2.276412383e-02 -2.276412383e-02 5.24 -2.004681899e-02 -2.004681899e-02 5.26 -1.761656384e-02 -1.761656384e-02 5.28 -1.545176316e-02 -1.545176316e-02 5.30 -1.353071668e-02 -1.353071668e-02 5.32 -1.183182162e-02 -1.183182162e-02 5.34 -1.033391269e-02 -1.033391269e-02 5.36 -9.016681245e-03 -9.016681245e-03 5.38 -7.860967438e-03 -7.860967438e-03 5.40 -6.848945351e-03 -6.848945351e-03 5.42 -5.964221284e-03 -5.964221284e-03 5.44 -5.191864539e-03 -5.191864539e-03 5.46 -4.518387817e-03 -4.518387817e-03 5.48 -3.931691801e-03 -3.931691801e-03 5.50 -3.420985869e-03 -3.420985869e-03 5.52 -2.976694345e-03 -2.976694345e-03 5.54 -2.590355516e-03 -2.590355516e-03 5.56 -2.254518746e-03 -2.254518746e-03 5.58 -1.962643469e-03 -1.962643469e-03 5.60 -1.709002642e-03 -1.709002642e-03 5.62 -1.488592264e-03 -1.488592264e-03 5.64 -1.297047886e-03 -1.297047886e-03 5.66 -1.130568484e-03 -1.130568484e-03 5.68 -9.858477345e-04 -9.858477345e-04 5.70 -8.600124439e-04 -8.600124439e-04 5.72 -7.505677540e-04 -7.505677540e-04 5.74 -6.553486349e-04 -6.553486349e-04 5.76 -5.724771324e-04 -5.724771324e-04 5.78 -5.003248269e-04 -5.003248269e-04 5.80 -4.374799681e-04 -4.374799681e-04 5.82 -3.827187777e-04 -3.827187777e-04 5.84 -3.349804427e-04 -3.349804427e-04 5.86 -2.933453628e-04 -2.933453628e-04 5.88 -2.570162566e-04 -2.570162566e-04 5.90 -2.253017680e-04 -2.253017680e-04 5.92 -1.976022571e-04 -1.976022571e-04 5.94 -1.733974922e-04 -1.733974922e-04 5.96 -1.522359949e-04 -1.522359949e-04 5.98 -1.337258210e-04 -1.337258210e-04 6.00 -1.175265844e-04 -1.175265844e-04