# 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 = AlPt2Ti # 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 3.018730423e+02 3.018730423e+02 1.30 2.819325193e+02 2.819325193e+02 1.32 2.632911836e+02 2.632911836e+02 1.34 2.458586834e+02 2.458586834e+02 1.36 2.295513010e+02 2.295513010e+02 1.38 2.142875978e+02 2.142875978e+02 1.40 1.999905518e+02 1.999905518e+02 1.42 1.865917404e+02 1.865917404e+02 1.44 1.740310837e+02 1.740310837e+02 1.46 1.622540756e+02 1.622540756e+02 1.48 1.512108805e+02 1.512108805e+02 1.50 1.408558357e+02 1.408558357e+02 1.52 1.311449733e+02 1.311449733e+02 1.54 1.220333364e+02 1.220333364e+02 1.56 1.134744252e+02 1.134744252e+02 1.58 1.054215577e+02 1.054215577e+02 1.60 9.782988118e+01 9.782988118e+01 1.62 9.065838629e+01 9.065838629e+01 1.64 8.387177688e+01 8.387177688e+01 1.66 7.744189542e+01 7.744189542e+01 1.68 7.134811308e+01 7.134811308e+01 1.70 6.557618825e+01 6.557618825e+01 1.72 6.011563675e+01 6.011563675e+01 1.74 5.495629060e+01 5.495629060e+01 1.76 5.008531833e+01 5.008531833e+01 1.78 4.549316349e+01 4.549316349e+01 1.80 4.124526644e+01 4.124526644e+01 1.82 3.733607420e+01 3.733607420e+01 1.84 3.373521260e+01 3.373521260e+01 1.86 3.041708100e+01 3.041708100e+01 1.88 2.736077730e+01 2.736077730e+01 1.90 2.454848145e+01 2.454848145e+01 1.92 2.196369462e+01 2.196369462e+01 1.94 1.959010367e+01 1.959010367e+01 1.96 1.741138929e+01 1.741138929e+01 1.98 1.541167615e+01 1.541167615e+01 2.00 1.357606885e+01 1.357606885e+01 2.02 1.189092025e+01 1.189092025e+01 2.04 1.034382416e+01 1.034382416e+01 2.06 8.923494983e+00 8.923494983e+00 2.08 7.619654416e+00 7.619654416e+00 2.10 6.422940377e+00 6.422940377e+00 2.12 5.324808530e+00 5.324808530e+00 2.14 4.317423555e+00 4.317423555e+00 2.16 3.393568463e+00 3.393568463e+00 2.18 2.546597850e+00 2.546597850e+00 2.20 1.770431354e+00 1.770431354e+00 2.22 1.059560782e+00 1.059560782e+00 2.24 4.090458433e-01 4.090458433e-01 2.26 -1.855126278e-01 -1.855126278e-01 2.28 -7.280208175e-01 -7.280208175e-01 2.30 -1.221955094e+00 -1.221955094e+00 2.32 -1.670433547e+00 -1.670433547e+00 2.34 -2.076288430e+00 -2.076288430e+00 2.36 -2.442133291e+00 -2.442133291e+00 2.38 -2.770422800e+00 -2.770422800e+00 2.40 -3.063506561e+00 -3.063506561e+00 2.42 -3.323677714e+00 -3.323677714e+00 2.44 -3.553212921e+00 -3.553212921e+00 2.46 -3.754398391e+00 -3.754398391e+00 2.48 -3.929537877e+00 -3.929537877e+00 2.50 -4.080942730e+00 -4.080942730e+00 2.52 -4.210906312e+00 -4.210906312e+00 2.54 -4.321665551e+00 -4.321665551e+00 2.56 -4.415353461e+00 -4.415353461e+00 2.58 -4.494724807e+00 -4.494724807e+00 2.60 -4.563381324e+00 -4.563381324e+00 2.62 -4.622326914e+00 -4.622326914e+00 2.64 -4.672288526e+00 -4.672288526e+00 2.66 -4.713857301e+00 -4.713857301e+00 2.68 -4.747499602e+00 -4.747499602e+00 2.70 -4.773576758e+00 -4.773576758e+00 2.72 -4.792402987e+00 -4.792402987e+00 2.74 -4.804184818e+00 -4.804184818e+00 2.76 -4.809065867e+00 -4.809065867e+00 2.78 -4.807174887e+00 -4.807174887e+00 2.80 -4.798637232e+00 -4.798637232e+00 2.82 -4.783585085e+00 -4.783585085e+00 2.84 -4.762168758e+00 -4.762168758e+00 2.86 -4.734570184e+00 -4.734570184e+00 2.88 -4.701019388e+00 -4.701019388e+00 2.90 -4.661915645e+00 -4.661915645e+00 2.92 -4.618125318e+00 -4.618125318e+00 2.94 -4.569962629e+00 -4.569962629e+00 2.96 -4.517770395e+00 -4.517770395e+00 2.98 -4.462012679e+00 -4.462012679e+00 3.00 -4.403242312e+00 -4.403242312e+00 3.02 -4.342056798e+00 -4.342056798e+00 3.04 -4.279049157e+00 -4.279049157e+00 3.06 -4.214762283e+00 -4.214762283e+00 3.08 -4.149654493e+00 -4.149654493e+00 3.10 -4.084087281e+00 -4.084087281e+00 3.12 -4.018318829e+00 -4.018318829e+00 3.14 -3.952505918e+00 -3.952505918e+00 3.16 -3.886721858e+00 -3.886721858e+00 3.18 -3.820978751e+00 -3.820978751e+00 3.20 -3.755248898e+00 -3.755248898e+00 3.22 -3.689483217e+00 -3.689483217e+00 3.24 -3.623625549e+00 -3.623625549e+00 3.26 -3.557622858e+00 -3.557622858e+00 3.28 -3.491431933e+00 -3.491431933e+00 3.30 -3.425023367e+00 -3.425023367e+00 3.32 -3.358383557e+00 -3.358383557e+00 3.34 -3.291515306e+00 -3.291515306e+00 3.36 -3.224437466e+00 -3.224437466e+00 3.38 -3.157183922e+00 -3.157183922e+00 3.40 -3.089802167e+00 -3.089802167e+00 3.42 -3.022351713e+00 -3.022351713e+00 3.44 -2.954902309e+00 -2.954902309e+00 3.46 -2.887532293e+00 -2.887532293e+00 3.48 -2.820326985e+00 -2.820326985e+00 3.50 -2.753401182e+00 -2.753401182e+00 3.52 -2.686925606e+00 -2.686925606e+00 3.54 -2.621065815e+00 -2.621065815e+00 3.56 -2.555971376e+00 -2.555971376e+00 3.58 -2.491774154e+00 -2.491774154e+00 3.60 -2.428586315e+00 -2.428586315e+00 3.62 -2.366498541e+00 -2.366498541e+00 3.64 -2.305578957e+00 -2.305578957e+00 3.66 -2.245873102e+00 -2.245873102e+00 3.68 -2.187405010e+00 -2.187405010e+00 3.70 -2.130179267e+00 -2.130179267e+00 3.72 -2.074183718e+00 -2.074183718e+00 3.74 -2.019392498e+00 -2.019392498e+00 3.76 -1.965769098e+00 -1.965769098e+00 3.78 -1.913269278e+00 -1.913269278e+00 3.80 -1.861843692e+00 -1.861843692e+00 3.82 -1.811440199e+00 -1.811440199e+00 3.84 -1.762005819e+00 -1.762005819e+00 3.86 -1.713488352e+00 -1.713488352e+00 3.88 -1.665837695e+00 -1.665837695e+00 3.90 -1.619006878e+00 -1.619006878e+00 3.92 -1.572952864e+00 -1.572952864e+00 3.94 -1.527637323e+00 -1.527637323e+00 3.96 -1.483027071e+00 -1.483027071e+00 3.98 -1.439094756e+00 -1.439094756e+00 4.00 -1.395819442e+00 -1.395819442e+00 4.02 -1.353187272e+00 -1.353187272e+00 4.04 -1.311192167e+00 -1.311192167e+00 4.06 -1.269836491e+00 -1.269836491e+00 4.08 -1.229131568e+00 -1.229131568e+00 4.10 -1.189097849e+00 -1.189097849e+00 4.12 -1.149764927e+00 -1.149764927e+00 4.14 -1.111170319e+00 -1.111170319e+00 4.16 -1.073358227e+00 -1.073358227e+00 4.18 -1.036377289e+00 -1.036377289e+00 4.20 -1.000277862e+00 -1.000277862e+00 4.22 -9.651089911e-01 -9.651089911e-01 4.24 -9.309153715e-01 -9.309153715e-01 4.26 -8.977345823e-01 -8.977345823e-01 4.28 -8.655948396e-01 -8.655948396e-01 4.30 -8.345133945e-01 -8.345133945e-01 4.32 -8.044955986e-01 -8.044955986e-01 4.34 -7.755345688e-01 -7.755345688e-01 4.36 -7.476113412e-01 -7.476113412e-01 4.38 -7.206954017e-01 -7.206954017e-01 4.40 -6.947455067e-01 -6.947455067e-01 4.42 -6.697107362e-01 -6.697107362e-01 4.44 -6.455317443e-01 -6.455317443e-01 4.46 -6.221421763e-01 -6.221421763e-01 4.48 -5.994702171e-01 -5.994702171e-01 4.50 -5.774402297e-01 -5.774402297e-01 4.52 -5.559744402e-01 -5.559744402e-01 4.54 -5.349946352e-01 -5.349946352e-01 4.56 -5.144238508e-01 -5.144238508e-01 4.58 -4.941880502e-01 -4.941880502e-01 4.60 -4.742178008e-01 -4.742178008e-01 4.62 -4.544499680e-01 -4.544499680e-01 4.64 -4.348294373e-01 -4.348294373e-01 4.66 -4.153108591e-01 -4.153108591e-01 4.68 -3.958603824e-01 -3.958603824e-01 4.70 -3.764573064e-01 -3.764573064e-01 4.72 -3.570955403e-01 -3.570955403e-01 4.74 -3.377847255e-01 -3.377847255e-01 4.76 -3.185508489e-01 -3.185508489e-01 4.78 -2.994361783e-01 -2.994361783e-01 4.80 -2.804983257e-01 -2.804983257e-01 4.82 -2.618086403e-01 -2.618086403e-01 4.84 -2.434491943e-01 -2.434491943e-01 4.86 -2.255094791e-01 -2.255094791e-01 4.88 -2.080822468e-01 -2.080822468e-01 4.90 -1.912591188e-01 -1.912591188e-01 4.92 -1.751262605e-01 -1.751262605e-01 4.94 -1.597604704e-01 -1.597604704e-01 4.96 -1.452259830e-01 -1.452259830e-01 4.98 -1.315721915e-01 -1.315721915e-01 5.00 -1.188323822e-01 -1.188323822e-01 5.02 -1.070234626e-01 -1.070234626e-01 5.04 -9.614656949e-02 -9.614656949e-02 5.06 -8.618838640e-02 -8.618838640e-02 5.08 -7.712296693e-02 -7.712296693e-02 5.10 -6.891386557e-02 -6.891386557e-02 5.12 -6.151639561e-02 -6.151639561e-02 5.14 -5.487986578e-02 -5.487986578e-02 5.16 -4.894968433e-02 -4.894968433e-02 5.18 -4.366925701e-02 -4.366925701e-02 5.20 -3.898160835e-02 -3.898160835e-02 5.22 -3.483072510e-02 -3.483072510e-02 5.24 -3.116261309e-02 -3.116261309e-02 5.26 -2.792603894e-02 -2.792603894e-02 5.28 -2.507295867e-02 -2.507295867e-02 5.30 -2.255926287e-02 -2.255926287e-02 5.32 -2.034462634e-02 -2.034462634e-02 5.34 -1.839280856e-02 -1.839280856e-02 5.36 -1.667113212e-02 -1.667113212e-02 5.38 -1.515036093e-02 -1.515036093e-02 5.40 -1.380451327e-02 -1.380451327e-02 5.42 -1.261062761e-02 -1.261062761e-02 5.44 -1.154850530e-02 -1.154850530e-02 5.46 -1.060044748e-02 -1.060044748e-02 5.48 -9.750998260e-03 -9.750998260e-03 5.50 -8.986701867e-03 -8.986701867e-03 5.52 -8.295878731e-03 -8.295878731e-03 5.54 -7.668422782e-03 -7.668422782e-03 5.56 -7.095619911e-03 -7.095619911e-03 5.58 -6.569988395e-03 -6.569988395e-03 5.60 -6.085143926e-03 -6.085143926e-03 5.62 -5.635675218e-03 -5.635675218e-03 5.64 -5.217037858e-03 -5.217037858e-03 5.66 -4.825460830e-03 -4.825460830e-03 5.68 -4.457862504e-03 -4.457862504e-03 5.70 -4.111773140e-03 -4.111773140e-03 5.72 -3.785261241e-03 -3.785261241e-03 5.74 -3.476861574e-03 -3.476861574e-03 5.76 -3.185503423e-03 -3.185503423e-03 5.78 -2.910670753e-03 -2.910670753e-03 5.80 -2.652293755e-03 -2.652293755e-03 5.82 -2.409821492e-03 -2.409821492e-03 5.84 -2.182825546e-03 -2.182825546e-03 5.86 -1.970971269e-03 -1.970971269e-03 5.88 -1.773965765e-03 -1.773965765e-03 5.90 -1.591514110e-03 -1.591514110e-03 5.92 -1.423285085e-03 -1.423285085e-03 5.94 -1.268887129e-03 -1.268887129e-03 5.96 -1.127854502e-03 -1.127854502e-03 5.98 -9.996429222e-04 -9.996429222e-04 6.00 -8.836333029e-04 -8.836333029e-04