# 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 = AgCoTi2 # 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 2.361310550e+02 2.361310550e+02 1.30 2.182402366e+02 2.182402366e+02 1.32 2.017153754e+02 2.017153754e+02 1.34 1.864438276e+02 1.864438276e+02 1.36 1.723224514e+02 1.723224514e+02 1.38 1.592579137e+02 1.592579137e+02 1.40 1.471658683e+02 1.471658683e+02 1.42 1.359696288e+02 1.359696288e+02 1.44 1.255991445e+02 1.255991445e+02 1.46 1.159904518e+02 1.159904518e+02 1.48 1.070852701e+02 1.070852701e+02 1.50 9.883049100e+01 9.883049100e+01 1.52 9.117749115e+01 9.117749115e+01 1.54 8.408144049e+01 8.408144049e+01 1.56 7.750088374e+01 7.750088374e+01 1.58 7.139755233e+01 7.139755233e+01 1.60 6.573616172e+01 6.573616172e+01 1.62 6.048413117e+01 6.048413117e+01 1.64 5.561128330e+01 5.561128330e+01 1.66 5.108953529e+01 5.108953529e+01 1.68 4.689264783e+01 4.689264783e+01 1.70 4.299615485e+01 4.299615485e+01 1.72 3.937746045e+01 3.937746045e+01 1.74 3.601597264e+01 3.601597264e+01 1.76 3.289330330e+01 3.289330330e+01 1.78 2.999295796e+01 2.999295796e+01 1.80 2.730098554e+01 2.730098554e+01 1.82 2.480303087e+01 2.480303087e+01 1.84 2.248578031e+01 2.248578031e+01 1.86 2.033699116e+01 2.033699116e+01 1.88 1.834531871e+01 1.834531871e+01 1.90 1.650013799e+01 1.650013799e+01 1.92 1.479139773e+01 1.479139773e+01 1.94 1.320954211e+01 1.320954211e+01 1.96 1.174551529e+01 1.174551529e+01 1.98 1.039082251e+01 1.039082251e+01 2.00 9.137585137e+00 9.137585137e+00 2.02 7.978540683e+00 7.978540683e+00 2.04 6.906989103e+00 6.906989103e+00 2.06 5.916724724e+00 5.916724724e+00 2.08 5.001991253e+00 5.001991253e+00 2.10 4.157465718e+00 4.157465718e+00 2.12 3.378248204e+00 3.378248204e+00 2.14 2.659834848e+00 2.659834848e+00 2.16 1.998072580e+00 1.998072580e+00 2.18 1.389107272e+00 1.389107272e+00 2.20 8.293359215e-01 8.293359215e-01 2.22 3.153657064e-01 3.153657064e-01 2.24 -1.560170101e-01 -1.560170101e-01 2.26 -5.878632243e-01 -5.878632243e-01 2.28 -9.830608360e-01 -9.830608360e-01 2.30 -1.344320184e+00 -1.344320184e+00 2.32 -1.674156658e+00 -1.674156658e+00 2.34 -1.974877322e+00 -1.974877322e+00 2.36 -2.248579613e+00 -2.248579613e+00 2.38 -2.497163586e+00 -2.497163586e+00 2.40 -2.722357131e+00 -2.722357131e+00 2.42 -2.925748554e+00 -2.925748554e+00 2.44 -3.108818564e+00 -3.108818564e+00 2.46 -3.272966259e+00 -3.272966259e+00 2.48 -3.419526216e+00 -3.419526216e+00 2.50 -3.549777044e+00 -3.549777044e+00 2.52 -3.664943284e+00 -3.664943284e+00 2.54 -3.766193427e+00 -3.766193427e+00 2.56 -3.854636645e+00 -3.854636645e+00 2.58 -3.931365689e+00 -3.931365689e+00 2.60 -3.997430481e+00 -3.997430481e+00 2.62 -4.053612657e+00 -4.053612657e+00 2.64 -4.100637906e+00 -4.100637906e+00 2.66 -4.139208991e+00 -4.139208991e+00 2.68 -4.169941946e+00 -4.169941946e+00 2.70 -4.193355092e+00 -4.193355092e+00 2.72 -4.209924739e+00 -4.209924739e+00 2.74 -4.220025967e+00 -4.220025967e+00 2.76 -4.223832126e+00 -4.223832126e+00 2.78 -4.221521399e+00 -4.221521399e+00 2.80 -4.213311236e+00 -4.213311236e+00 2.82 -4.199448984e+00 -4.199448984e+00 2.84 -4.180177434e+00 -4.180177434e+00 2.86 -4.155729271e+00 -4.155729271e+00 2.88 -4.126364396e+00 -4.126364396e+00 2.90 -4.092368361e+00 -4.092368361e+00 2.92 -4.054048793e+00 -4.054048793e+00 2.94 -4.011732469e+00 -4.011732469e+00 2.96 -3.965763515e+00 -3.965763515e+00 2.98 -3.916503506e+00 -3.916503506e+00 3.00 -3.864414804e+00 -3.864414804e+00 3.02 -3.809869758e+00 -3.809869758e+00 3.04 -3.753169079e+00 -3.753169079e+00 3.06 -3.694628462e+00 -3.694628462e+00 3.08 -3.634560216e+00 -3.634560216e+00 3.10 -3.573255561e+00 -3.573255561e+00 3.12 -3.510970465e+00 -3.510970465e+00 3.14 -3.447918824e+00 -3.447918824e+00 3.16 -3.384273606e+00 -3.384273606e+00 3.18 -3.320177109e+00 -3.320177109e+00 3.20 -3.255743518e+00 -3.255743518e+00 3.22 -3.191065931e+00 -3.191065931e+00 3.24 -3.126224193e+00 -3.126224193e+00 3.26 -3.061290627e+00 -3.061290627e+00 3.28 -2.996333689e+00 -2.996333689e+00 3.30 -2.931419950e+00 -2.931419950e+00 3.32 -2.866614914e+00 -2.866614914e+00 3.34 -2.801983193e+00 -2.801983193e+00 3.36 -2.737588472e+00 -2.737588472e+00 3.38 -2.673493603e+00 -2.673493603e+00 3.40 -2.609761040e+00 -2.609761040e+00 3.42 -2.546453907e+00 -2.546453907e+00 3.44 -2.483637276e+00 -2.483637276e+00 3.46 -2.421380062e+00 -2.421380062e+00 3.48 -2.359756708e+00 -2.359756708e+00 3.50 -2.298848293e+00 -2.298848293e+00 3.52 -2.238742417e+00 -2.238742417e+00 3.54 -2.179531295e+00 -2.179531295e+00 3.56 -2.121307901e+00 -2.121307901e+00 3.58 -2.064160482e+00 -2.064160482e+00 3.60 -2.008166377e+00 -2.008166377e+00 3.62 -1.953386382e+00 -1.953386382e+00 3.64 -1.899860871e+00 -1.899860871e+00 3.66 -1.847608408e+00 -1.847608408e+00 3.68 -1.796626933e+00 -1.796626933e+00 3.70 -1.746896999e+00 -1.746896999e+00 3.72 -1.698386195e+00 -1.698386195e+00 3.74 -1.651053880e+00 -1.651053880e+00 3.76 -1.604855522e+00 -1.604855522e+00 3.78 -1.559746238e+00 -1.559746238e+00 3.80 -1.515683361e+00 -1.515683361e+00 3.82 -1.472628082e+00 -1.472628082e+00 3.84 -1.430546280e+00 -1.430546280e+00 3.86 -1.389408731e+00 -1.389408731e+00 3.88 -1.349190859e+00 -1.349190859e+00 3.90 -1.309872183e+00 -1.309872183e+00 3.92 -1.271435551e+00 -1.271435551e+00 3.94 -1.233866559e+00 -1.233866559e+00 3.96 -1.197152440e+00 -1.197152440e+00 3.98 -1.161281580e+00 -1.161281580e+00 4.00 -1.126242844e+00 -1.126242844e+00 4.02 -1.092025095e+00 -1.092025095e+00 4.04 -1.058616858e+00 -1.058616858e+00 4.06 -1.026006141e+00 -1.026006141e+00 4.08 -9.941804164e-01 -9.941804164e-01 4.10 -9.631266234e-01 -9.631266234e-01 4.12 -9.328319261e-01 -9.328319261e-01 4.14 -9.032833211e-01 -9.032833211e-01 4.16 -8.744686424e-01 -8.744686424e-01 4.18 -8.463769142e-01 -8.463769142e-01 4.20 -8.189988227e-01 -8.189988227e-01 4.22 -7.923270868e-01 -7.923270868e-01 4.24 -7.663566517e-01 -7.663566517e-01 4.26 -7.410846362e-01 -7.410846362e-01 4.28 -7.165099885e-01 -7.165099885e-01 4.30 -6.926328510e-01 -6.926328510e-01 4.32 -6.694536810e-01 -6.694536810e-01 4.34 -6.469722266e-01 -6.469722266e-01 4.36 -6.251864885e-01 -6.251864885e-01 4.38 -6.040918037e-01 -6.040918037e-01 4.40 -5.836801655e-01 -5.836801655e-01 4.42 -5.639398473e-01 -5.639398473e-01 4.44 -5.448553453e-01 -5.448553453e-01 4.46 -5.264076036e-01 -5.264076036e-01 4.48 -5.085744533e-01 -5.085744533e-01 4.50 -4.913311821e-01 -4.913311821e-01 4.52 -4.746511536e-01 -4.746511536e-01 4.54 -4.585064130e-01 -4.585064130e-01 4.56 -4.428682321e-01 -4.428682321e-01 4.58 -4.277075747e-01 -4.277075747e-01 4.60 -4.129954752e-01 -4.129954752e-01 4.62 -3.987033411e-01 -3.987033411e-01 4.64 -3.848031983e-01 -3.848031983e-01 4.66 -3.712679015e-01 -3.712679015e-01 4.68 -3.580713356e-01 -3.580713356e-01 4.70 -3.451886307e-01 -3.451886307e-01 4.72 -3.325964122e-01 -3.325964122e-01 4.74 -3.202731016e-01 -3.202731016e-01 4.76 -3.081992765e-01 -3.081992765e-01 4.78 -2.963580913e-01 -2.963580913e-01 4.80 -2.847356658e-01 -2.847356658e-01 4.82 -2.733219272e-01 -2.733219272e-01 4.84 -2.621105605e-01 -2.621105605e-01 4.86 -2.510998164e-01 -2.510998164e-01 4.88 -2.402927236e-01 -2.402927236e-01 4.90 -2.296972153e-01 -2.296972153e-01 4.92 -2.193260077e-01 -2.193260077e-01 4.94 -2.091961820e-01 -2.091961820e-01 4.96 -1.993284463e-01 -1.993284463e-01 4.98 -1.897460890e-01 -1.897460890e-01 5.00 -1.804736759e-01 -1.804736759e-01 5.02 -1.715355798e-01 -1.715355798e-01 5.04 -1.629544644e-01 -1.629544644e-01 5.06 -1.547498535e-01 -1.547498535e-01 5.08 -1.469369160e-01 -1.469369160e-01 5.10 -1.395255687e-01 -1.395255687e-01 5.12 -1.325199640e-01 -1.325199640e-01 5.14 -1.259183770e-01 -1.259183770e-01 5.16 -1.197134658e-01 -1.197134658e-01 5.18 -1.138928444e-01 -1.138928444e-01 5.20 -1.084398729e-01 -1.084398729e-01 5.22 -1.033344379e-01 -1.033344379e-01 5.24 -9.855375455e-02 -9.855375455e-02 5.26 -9.407431628e-02 -9.407431628e-02 5.28 -8.987183236e-02 -8.987183236e-02 5.30 -8.592187069e-02 -8.592187069e-02 5.32 -8.220045158e-02 -8.220045158e-02 5.34 -7.868448484e-02 -7.868448484e-02 5.36 -7.535206846e-02 -7.535206846e-02 5.38 -7.218267269e-02 -7.218267269e-02 5.40 -6.915723507e-02 -6.915723507e-02 5.42 -6.625819096e-02 -6.625819096e-02 5.44 -6.346946180e-02 -6.346946180e-02 5.46 -6.077641993e-02 -6.077641993e-02 5.48 -5.816584543e-02 -5.816584543e-02 5.50 -5.562588685e-02 -5.562588685e-02 5.52 -5.314603458e-02 -5.314603458e-02 5.54 -5.071711247e-02 -5.071711247e-02 5.56 -4.833129013e-02 -4.833129013e-02 5.58 -4.598211554e-02 -4.598211554e-02 5.60 -4.366456452e-02 -4.366456452e-02 5.62 -4.137510024e-02 -4.137510024e-02 5.64 -3.911173320e-02 -3.911173320e-02 5.66 -3.687406928e-02 -3.687406928e-02 5.68 -3.466333146e-02 -3.466333146e-02 5.70 -3.248233994e-02 -3.248233994e-02 5.72 -3.033543650e-02 -3.033543650e-02 5.74 -2.822834162e-02 -2.822834162e-02 5.76 -2.616793858e-02 -2.616793858e-02 5.78 -2.416198593e-02 -2.416198593e-02 5.80 -2.221876651e-02 -2.221876651e-02 5.82 -2.034669356e-02 -2.034669356e-02 5.84 -1.855389856e-02 -1.855389856e-02 5.86 -1.684783006e-02 -1.684783006e-02 5.88 -1.523489422e-02 -1.523489422e-02 5.90 -1.372016410e-02 -1.372016410e-02 5.92 -1.230708362e-02 -1.230708362e-02 5.94 -1.099733143e-02 -1.099733143e-02 5.96 -9.791320517e-03 -9.791320517e-03 5.98 -8.687877167e-03 -8.687877167e-03 6.00 -7.684375883e-03 -7.684375883e-03