# 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 = AlCu2Pd # 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 1.311900080e+02 1.311900080e+02 1.30 1.211884971e+02 1.211884971e+02 1.32 1.119256697e+02 1.119256697e+02 1.34 1.033480242e+02 1.033480242e+02 1.36 9.540372572e+01 9.540372572e+01 1.38 8.804193821e+01 8.804193821e+01 1.40 8.121423196e+01 8.121423196e+01 1.42 7.487641047e+01 7.487641047e+01 1.44 6.898944051e+01 6.898944051e+01 1.46 6.351908512e+01 6.351908512e+01 1.48 5.843477014e+01 5.843477014e+01 1.50 5.370858008e+01 5.370858008e+01 1.52 4.931465888e+01 4.931465888e+01 1.54 4.522871946e+01 4.522871946e+01 1.56 4.142768954e+01 4.142768954e+01 1.58 3.790054188e+01 3.790054188e+01 1.60 3.463276421e+01 3.463276421e+01 1.62 3.160508249e+01 3.160508249e+01 1.64 2.879934571e+01 2.879934571e+01 1.66 2.619922377e+01 2.619922377e+01 1.68 2.379012670e+01 2.379012670e+01 1.70 2.155875945e+01 2.155875945e+01 1.72 1.949283975e+01 1.949283975e+01 1.74 1.758092535e+01 1.758092535e+01 1.76 1.581230675e+01 1.581230675e+01 1.78 1.417694085e+01 1.417694085e+01 1.80 1.266539978e+01 1.266539978e+01 1.82 1.126883090e+01 1.126883090e+01 1.84 9.978936107e+00 9.978936107e+00 1.86 8.787961499e+00 8.787961499e+00 1.88 7.688680745e+00 7.688680745e+00 1.90 6.674365771e+00 6.674365771e+00 1.92 5.738748329e+00 5.738748329e+00 1.94 4.875978544e+00 4.875978544e+00 1.96 4.080589852e+00 4.080589852e+00 1.98 3.347486212e+00 3.347486212e+00 2.00 2.671962544e+00 2.671962544e+00 2.02 2.049745125e+00 2.049745125e+00 2.04 1.477013830e+00 1.477013830e+00 2.06 9.503729615e-01 9.503729615e-01 2.08 4.667719491e-01 4.667719491e-01 2.10 2.340834157e-02 2.340834157e-02 2.12 -3.823521637e-01 -3.823521637e-01 2.14 -7.530232343e-01 -7.530232343e-01 2.16 -1.091016254e+00 -1.091016254e+00 2.18 -1.398640033e+00 -1.398640033e+00 2.20 -1.678090814e+00 -1.678090814e+00 2.22 -1.931438619e+00 -1.931438619e+00 2.24 -2.160615245e+00 -2.160615245e+00 2.26 -2.367409794e+00 -2.367409794e+00 2.28 -2.553476066e+00 -2.553476066e+00 2.30 -2.720349891e+00 -2.720349891e+00 2.32 -2.869467137e+00 -2.869467137e+00 2.34 -3.002170944e+00 -3.002170944e+00 2.36 -3.119704630e+00 -3.119704630e+00 2.38 -3.223198287e+00 -3.223198287e+00 2.40 -3.313663368e+00 -3.313663368e+00 2.42 -3.392005134e+00 -3.392005134e+00 2.44 -3.459052053e+00 -3.459052053e+00 2.46 -3.515592073e+00 -3.515592073e+00 2.48 -3.562402977e+00 -3.562402977e+00 2.50 -3.600271070e+00 -3.600271070e+00 2.52 -3.630254202e+00 -3.630254202e+00 2.54 -3.653171297e+00 -3.653171297e+00 2.56 -3.670241309e+00 -3.670241309e+00 2.58 -3.682590225e+00 -3.682590225e+00 2.60 -3.690179147e+00 -3.690179147e+00 2.62 -3.692911852e+00 -3.692911852e+00 2.64 -3.690803979e+00 -3.690803979e+00 2.66 -3.683954877e+00 -3.683954877e+00 2.68 -3.672525671e+00 -3.672525671e+00 2.70 -3.656742127e+00 -3.656742127e+00 2.72 -3.636865303e+00 -3.636865303e+00 2.74 -3.613204859e+00 -3.613204859e+00 2.76 -3.586073320e+00 -3.586073320e+00 2.78 -3.555742360e+00 -3.555742360e+00 2.80 -3.522440070e+00 -3.522440070e+00 2.82 -3.486354663e+00 -3.486354663e+00 2.84 -3.447644233e+00 -3.447644233e+00 2.86 -3.406450585e+00 -3.406450585e+00 2.88 -3.362913927e+00 -3.362913927e+00 2.90 -3.317185188e+00 -3.317185188e+00 2.92 -3.269433903e+00 -3.269433903e+00 2.94 -3.219851213e+00 -3.219851213e+00 2.96 -3.168649000e+00 -3.168649000e+00 2.98 -3.116056943e+00 -3.116056943e+00 3.00 -3.062319104e+00 -3.062319104e+00 3.02 -3.007690553e+00 -3.007690553e+00 3.04 -2.952433342e+00 -2.952433342e+00 3.06 -2.896810560e+00 -2.896810560e+00 3.08 -2.841077462e+00 -2.841077462e+00 3.10 -2.785470285e+00 -2.785470285e+00 3.12 -2.730194437e+00 -2.730194437e+00 3.14 -2.675414697e+00 -2.675414697e+00 3.16 -2.621249437e+00 -2.621249437e+00 3.18 -2.567769967e+00 -2.567769967e+00 3.20 -2.515004506e+00 -2.515004506e+00 3.22 -2.462945529e+00 -2.462945529e+00 3.24 -2.411558870e+00 -2.411558870e+00 3.26 -2.360793165e+00 -2.360793165e+00 3.28 -2.310588662e+00 -2.310588662e+00 3.30 -2.260884805e+00 -2.260884805e+00 3.32 -2.211626326e+00 -2.211626326e+00 3.34 -2.162767743e+00 -2.162767743e+00 3.36 -2.114276268e+00 -2.114276268e+00 3.38 -2.066133201e+00 -2.066133201e+00 3.40 -2.018333946e+00 -2.018333946e+00 3.42 -1.970886876e+00 -1.970886876e+00 3.44 -1.923811295e+00 -1.923811295e+00 3.46 -1.877134841e+00 -1.877134841e+00 3.48 -1.830890611e+00 -1.830890611e+00 3.50 -1.785114307e+00 -1.785114307e+00 3.52 -1.739841628e+00 -1.739841628e+00 3.54 -1.695106079e+00 -1.695106079e+00 3.56 -1.650937293e+00 -1.650937293e+00 3.58 -1.607359918e+00 -1.607359918e+00 3.60 -1.564393088e+00 -1.564393088e+00 3.62 -1.522050438e+00 -1.522050438e+00 3.64 -1.480340637e+00 -1.480340637e+00 3.66 -1.439268377e+00 -1.439268377e+00 3.68 -1.398835743e+00 -1.398835743e+00 3.70 -1.359043860e+00 -1.359043860e+00 3.72 -1.319894666e+00 -1.319894666e+00 3.74 -1.281392638e+00 -1.281392638e+00 3.76 -1.243546217e+00 -1.243546217e+00 3.78 -1.206368715e+00 -1.206368715e+00 3.80 -1.169878445e+00 -1.169878445e+00 3.82 -1.134097935e+00 -1.134097935e+00 3.84 -1.099052220e+00 -1.099052220e+00 3.86 -1.064766343e+00 -1.064766343e+00 3.88 -1.031262427e+00 -1.031262427e+00 3.90 -9.985567351e-01 -9.985567351e-01 3.92 -9.666572201e-01 -9.666572201e-01 3.94 -9.355619483e-01 -9.355619483e-01 3.96 -9.052585829e-01 -9.052585829e-01 3.98 -8.757249984e-01 -8.757249984e-01 4.00 -8.469308008e-01 -8.469308008e-01 4.02 -8.188394680e-01 -8.188394680e-01 4.04 -7.914107593e-01 -7.914107593e-01 4.06 -7.646030668e-01 -7.646030668e-01 4.08 -7.383754620e-01 -7.383754620e-01 4.10 -7.126892849e-01 -7.126892849e-01 4.12 -6.875092916e-01 -6.875092916e-01 4.14 -6.628042777e-01 -6.628042777e-01 4.16 -6.385474933e-01 -6.385474933e-01 4.18 -6.147168562e-01 -6.147168562e-01 4.20 -5.912951729e-01 -5.912951729e-01 4.22 -5.682704582e-01 -5.682704582e-01 4.24 -5.456363830e-01 -5.456363830e-01 4.26 -5.233928039e-01 -5.233928039e-01 4.28 -5.015462574e-01 -5.015462574e-01 4.30 -4.801102686e-01 -4.801102686e-01 4.32 -4.591053220e-01 -4.591053220e-01 4.34 -4.385583762e-01 -4.385583762e-01 4.36 -4.185018609e-01 -4.185018609e-01 4.38 -3.989721603e-01 -3.989721603e-01 4.40 -3.800076502e-01 -3.800076502e-01 4.42 -3.616464099e-01 -3.616464099e-01 4.44 -3.439237722e-01 -3.439237722e-01 4.46 -3.268699047e-01 -3.268699047e-01 4.48 -3.105076309e-01 -3.105076309e-01 4.50 -2.948506887e-01 -2.948506887e-01 4.52 -2.799025966e-01 -2.799025966e-01 4.54 -2.656562339e-01 -2.656562339e-01 4.56 -2.520941671e-01 -2.520941671e-01 4.58 -2.391896706e-01 -2.391896706e-01 4.60 -2.269083203e-01 -2.269083203e-01 4.62 -2.152099631e-01 -2.152099631e-01 4.64 -2.040508703e-01 -2.040508703e-01 4.66 -1.933858818e-01 -1.933858818e-01 4.68 -1.831704019e-01 -1.831704019e-01 4.70 -1.733620836e-01 -1.733620836e-01 4.72 -1.639219590e-01 -1.639219590e-01 4.74 -1.548155652e-01 -1.548155652e-01 4.76 -1.460137549e-01 -1.460137549e-01 4.78 -1.374924296e-01 -1.374924296e-01 4.80 -1.292328156e-01 -1.292328156e-01 4.82 -1.212210927e-01 -1.212210927e-01 4.84 -1.134480941e-01 -1.134480941e-01 4.86 -1.059090243e-01 -1.059090243e-01 4.88 -9.860310775e-02 -9.860310775e-02 4.90 -9.153321122e-02 -9.153321122e-02 4.92 -8.470541623e-02 -8.470541623e-02 4.94 -7.812851038e-02 -7.812851038e-02 4.96 -7.181336978e-02 -7.181336978e-02 4.98 -6.577221953e-02 -6.577221953e-02 5.00 -6.001778448e-02 -6.001778448e-02 5.02 -5.456236917e-02 -5.456236917e-02 5.04 -4.941692928e-02 -4.941692928e-02 5.06 -4.459020960e-02 -4.459020960e-02 5.08 -4.008802290e-02 -4.008802290e-02 5.10 -3.591273021e-02 -3.591273021e-02 5.12 -3.206295970e-02 -3.206295970e-02 5.14 -2.853357283e-02 -2.853357283e-02 5.16 -2.531585951e-02 -2.531585951e-02 5.18 -2.239792276e-02 -2.239792276e-02 5.20 -1.976519714e-02 -1.976519714e-02 5.22 -1.740104742e-02 -1.740104742e-02 5.24 -1.528739112e-02 -1.528739112e-02 5.26 -1.340529866e-02 -1.340529866e-02 5.28 -1.173542963e-02 -1.173542963e-02 5.30 -1.025849835e-02 -1.025849835e-02 5.32 -8.956200798e-03 -8.956200798e-03 5.34 -7.810990919e-03 -7.810990919e-03 5.36 -6.806290533e-03 -6.806290533e-03 5.38 -5.926652228e-03 -5.926652228e-03 5.40 -5.157849243e-03 -5.157849243e-03 5.42 -4.486907507e-03 -4.486907507e-03 5.44 -3.902093804e-03 -3.902093804e-03 5.46 -3.392872229e-03 -3.392872229e-03 5.48 -2.949839074e-03 -2.949839074e-03 5.50 -2.564644308e-03 -2.564644308e-03 5.52 -2.229905975e-03 -2.229905975e-03 5.54 -1.939122262e-03 -1.939122262e-03 5.56 -1.686584658e-03 -1.686584658e-03 5.58 -1.467294562e-03 -1.467294562e-03 5.60 -1.276884857e-03 -1.276884857e-03 5.62 -1.111547330e-03 -1.111547330e-03 5.64 -9.679663566e-04 -9.679663566e-04 5.66 -8.432589204e-04 -8.432589204e-04 5.68 -7.349208104e-04 -7.349208104e-04 5.70 -6.407786867e-04 -6.407786867e-04 5.72 -5.589476153e-04 -5.589476153e-04 5.74 -4.877936215e-04 -4.877936215e-04 5.76 -4.259007962e-04 -4.259007962e-04 5.78 -3.720424959e-04 -3.720424959e-04 5.80 -3.251561937e-04 -3.251561937e-04 5.82 -2.843215678e-04 -2.843215678e-04 5.84 -2.487414457e-04 -2.487414457e-04 5.86 -2.177252574e-04 -2.177252574e-04 5.88 -1.906746849e-04 -1.906746849e-04 5.90 -1.670712288e-04 -1.670712288e-04 5.92 -1.464654451e-04 -1.464654451e-04 5.94 -1.284676325e-04 -1.284676325e-04 5.96 -1.127397799e-04 -1.127397799e-04 5.98 -9.898860447e-05 -9.898860447e-05 6.00 -8.695953538e-05 -8.695953538e-05