# 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 = AuNiTi2 # 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 2.486856321e+02 2.486856321e+02 1.30 2.301260439e+02 2.301260439e+02 1.32 2.129632416e+02 2.129632416e+02 1.34 1.970844663e+02 1.970844663e+02 1.36 1.823858700e+02 1.823858700e+02 1.38 1.687729475e+02 1.687729475e+02 1.40 1.561603681e+02 1.561603681e+02 1.42 1.444707067e+02 1.444707067e+02 1.44 1.336328699e+02 1.336328699e+02 1.46 1.235809832e+02 1.235809832e+02 1.48 1.142539720e+02 1.142539720e+02 1.50 1.055956333e+02 1.055956333e+02 1.52 9.755473469e+01 9.755473469e+01 1.54 9.008479694e+01 9.008479694e+01 1.56 8.314348409e+01 8.314348409e+01 1.58 7.669177166e+01 7.669177166e+01 1.60 7.069329315e+01 7.069329315e+01 1.62 6.511414679e+01 6.511414679e+01 1.64 5.992299954e+01 5.992299954e+01 1.66 5.509112908e+01 5.509112908e+01 1.68 5.059231907e+01 5.059231907e+01 1.70 4.640275438e+01 4.640275438e+01 1.72 4.250093358e+01 4.250093358e+01 1.74 3.886743330e+01 3.886743330e+01 1.76 3.548445293e+01 3.548445293e+01 1.78 3.233542941e+01 3.233542941e+01 1.80 2.941271344e+01 2.941271344e+01 1.82 2.670547346e+01 2.670547346e+01 1.84 2.419809805e+01 2.419809805e+01 1.86 2.187616532e+01 2.187616532e+01 1.88 1.972639118e+01 1.972639118e+01 1.90 1.773648128e+01 1.773648128e+01 1.92 1.589497177e+01 1.589497177e+01 1.94 1.419111873e+01 1.419111873e+01 1.96 1.261485368e+01 1.261485368e+01 1.98 1.115678650e+01 1.115678650e+01 2.00 9.808219674e+00 9.808219674e+00 2.02 8.561140039e+00 8.561140039e+00 2.04 7.408179370e+00 7.408179370e+00 2.06 6.342562156e+00 6.342562156e+00 2.08 5.358065191e+00 5.358065191e+00 2.10 4.448994198e+00 4.448994198e+00 2.12 3.610158842e+00 3.610158842e+00 2.14 2.836828143e+00 2.836828143e+00 2.16 2.124665238e+00 2.124665238e+00 2.18 1.469653924e+00 1.469653924e+00 2.20 8.680303361e-01 8.680303361e-01 2.22 3.162267758e-01 3.162267758e-01 2.24 -1.891672200e-01 -1.891672200e-01 2.26 -6.514239995e-01 -6.514239995e-01 2.28 -1.073678671e+00 -1.073678671e+00 2.30 -1.458917622e+00 -1.458917622e+00 2.32 -1.809964402e+00 -1.809964402e+00 2.34 -2.129465206e+00 -2.129465206e+00 2.36 -2.419874448e+00 -2.419874448e+00 2.38 -2.683441414e+00 -2.683441414e+00 2.40 -2.922204562e+00 -2.922204562e+00 2.42 -3.138000106e+00 -3.138000106e+00 2.44 -3.332485214e+00 -3.332485214e+00 2.46 -3.507170264e+00 -3.507170264e+00 2.48 -3.663450963e+00 -3.663450963e+00 2.50 -3.802633505e+00 -3.802633505e+00 2.52 -3.925949793e+00 -3.925949793e+00 2.54 -4.034563718e+00 -4.034563718e+00 2.56 -4.129571926e+00 -4.129571926e+00 2.58 -4.212002821e+00 -4.212002821e+00 2.60 -4.282816189e+00 -4.282816189e+00 2.62 -4.342916036e+00 -4.342916036e+00 2.64 -4.393235877e+00 -4.393235877e+00 2.66 -4.434456855e+00 -4.434456855e+00 2.68 -4.467179956e+00 -4.467179956e+00 2.70 -4.491985071e+00 -4.491985071e+00 2.72 -4.509432446e+00 -4.509432446e+00 2.74 -4.520064643e+00 -4.520064643e+00 2.76 -4.524404037e+00 -4.524404037e+00 2.78 -4.522939611e+00 -4.522939611e+00 2.80 -4.515986806e+00 -4.515986806e+00 2.82 -4.503755222e+00 -4.503755222e+00 2.84 -4.486514796e+00 -4.486514796e+00 2.86 -4.464349149e+00 -4.464349149e+00 2.88 -4.437321632e+00 -4.437321632e+00 2.90 -4.405551837e+00 -4.405551837e+00 2.92 -4.369208317e+00 -4.369208317e+00 2.94 -4.328501575e+00 -4.328501575e+00 2.96 -4.283678528e+00 -4.283678528e+00 2.98 -4.235018801e+00 -4.235018801e+00 3.00 -4.182829274e+00 -4.182829274e+00 3.02 -4.127438278e+00 -4.127438278e+00 3.04 -4.069195882e+00 -4.069195882e+00 3.06 -4.008464516e+00 -4.008464516e+00 3.08 -3.945604082e+00 -3.945604082e+00 3.10 -3.880956940e+00 -3.880956940e+00 3.12 -3.814835102e+00 -3.814835102e+00 3.14 -3.747513153e+00 -3.747513153e+00 3.16 -3.679226497e+00 -3.679226497e+00 3.18 -3.610175049e+00 -3.610175049e+00 3.20 -3.540529190e+00 -3.540529190e+00 3.22 -3.470436358e+00 -3.470436358e+00 3.24 -3.400026804e+00 -3.400026804e+00 3.26 -3.329417893e+00 -3.329417893e+00 3.28 -3.258716916e+00 -3.258716916e+00 3.30 -3.188022689e+00 -3.188022689e+00 3.32 -3.117426361e+00 -3.117426361e+00 3.34 -3.047011826e+00 -3.047011826e+00 3.36 -2.976856094e+00 -2.976856094e+00 3.38 -2.907029883e+00 -2.907029883e+00 3.40 -2.837598620e+00 -2.837598620e+00 3.42 -2.768624104e+00 -2.768624104e+00 3.44 -2.700166433e+00 -2.700166433e+00 3.46 -2.632286595e+00 -2.632286595e+00 3.48 -2.565048941e+00 -2.565048941e+00 3.50 -2.498523173e+00 -2.498523173e+00 3.52 -2.432785197e+00 -2.432785197e+00 3.54 -2.367916246e+00 -2.367916246e+00 3.56 -2.304000043e+00 -2.304000043e+00 3.58 -2.241118232e+00 -2.241118232e+00 3.60 -2.179344910e+00 -2.179344910e+00 3.62 -2.118741426e+00 -2.118741426e+00 3.64 -2.059352612e+00 -2.059352612e+00 3.66 -2.001205205e+00 -2.001205205e+00 3.68 -1.944308607e+00 -1.944308607e+00 3.70 -1.888657573e+00 -1.888657573e+00 3.72 -1.834236086e+00 -1.834236086e+00 3.74 -1.781021635e+00 -1.781021635e+00 3.76 -1.728989244e+00 -1.728989244e+00 3.78 -1.678114850e+00 -1.678114850e+00 3.80 -1.628377789e+00 -1.628377789e+00 3.82 -1.579762323e+00 -1.579762323e+00 3.84 -1.532258200e+00 -1.532258200e+00 3.86 -1.485860312e+00 -1.485860312e+00 3.88 -1.440567574e+00 -1.440567574e+00 3.90 -1.396381221e+00 -1.396381221e+00 3.92 -1.353302735e+00 -1.353302735e+00 3.94 -1.311331989e+00 -1.311331989e+00 3.96 -1.270465154e+00 -1.270465154e+00 3.98 -1.230693621e+00 -1.230693621e+00 4.00 -1.192003266e+00 -1.192003266e+00 4.02 -1.154374381e+00 -1.154374381e+00 4.04 -1.117782124e+00 -1.117782124e+00 4.06 -1.082197352e+00 -1.082197352e+00 4.08 -1.047587653e+00 -1.047587653e+00 4.10 -1.013918329e+00 -1.013918329e+00 4.12 -9.811539796e-01 -9.811539796e-01 4.14 -9.492586722e-01 -9.492586722e-01 4.16 -9.181973697e-01 -9.181973697e-01 4.18 -8.879365164e-01 -8.879365164e-01 4.20 -8.584446630e-01 -8.584446630e-01 4.22 -8.296929870e-01 -8.296929870e-01 4.24 -8.016557147e-01 -8.016557147e-01 4.26 -7.743104451e-01 -7.743104451e-01 4.28 -7.476383775e-01 -7.476383775e-01 4.30 -7.216244401e-01 -7.216244401e-01 4.32 -6.962573227e-01 -6.962573227e-01 4.34 -6.715294182e-01 -6.715294182e-01 4.36 -6.474366712e-01 -6.474366712e-01 4.38 -6.239783302e-01 -6.239783302e-01 4.40 -6.011565839e-01 -6.011565839e-01 4.42 -5.789760542e-01 -5.789760542e-01 4.44 -5.574431168e-01 -5.574431168e-01 4.46 -5.365650330e-01 -5.365650330e-01 4.48 -5.163489021e-01 -5.163489021e-01 4.50 -4.968004872e-01 -4.968004872e-01 4.52 -4.779230051e-01 -4.779230051e-01 4.54 -4.597160018e-01 -4.597160018e-01 4.56 -4.421744409e-01 -4.421744409e-01 4.58 -4.252881124e-01 -4.252881124e-01 4.60 -4.090414280e-01 -4.090414280e-01 4.62 -3.934136132e-01 -3.934136132e-01 4.64 -3.783792588e-01 -3.783792588e-01 4.66 -3.639091517e-01 -3.639091517e-01 4.68 -3.499712889e-01 -3.499712889e-01 4.70 -3.365319764e-01 -3.365319764e-01 4.72 -3.235569310e-01 -3.235569310e-01 4.74 -3.110123250e-01 -3.110123250e-01 4.76 -2.988657358e-01 -2.988657358e-01 4.78 -2.870869843e-01 -2.870869843e-01 4.80 -2.756487753e-01 -2.756487753e-01 4.82 -2.645276525e-01 -2.645276525e-01 4.84 -2.537039543e-01 -2.537039543e-01 4.86 -2.431625713e-01 -2.431625713e-01 4.88 -2.328930934e-01 -2.328930934e-01 4.90 -2.228899041e-01 -2.228899041e-01 4.92 -2.131520925e-01 -2.131520925e-01 4.94 -2.036831581e-01 -2.036831581e-01 4.96 -1.944904871e-01 -1.944904871e-01 4.98 -1.855845970e-01 -1.855845970e-01 5.00 -1.769781705e-01 -1.769781705e-01 5.02 -1.686849245e-01 -1.686849245e-01 5.04 -1.607183901e-01 -1.607183901e-01 5.06 -1.530906985e-01 -1.530906985e-01 5.08 -1.458114764e-01 -1.458114764e-01 5.10 -1.388869483e-01 -1.388869483e-01 5.12 -1.323193142e-01 -1.323193142e-01 5.14 -1.261064502e-01 -1.261064502e-01 5.16 -1.202419258e-01 -1.202419258e-01 5.18 -1.147153035e-01 -1.147153035e-01 5.20 -1.095124886e-01 -1.095124886e-01 5.22 -1.046163859e-01 -1.046163859e-01 5.24 -1.000084873e-01 -1.000084873e-01 5.26 -9.566878586e-02 -9.566878586e-02 5.28 -9.157643739e-02 -9.157643739e-02 5.30 -8.771037971e-02 -8.771037971e-02 5.32 -8.404982948e-02 -8.404982948e-02 5.34 -8.057465777e-02 -8.057465777e-02 5.36 -7.726565479e-02 -7.726565479e-02 5.38 -7.410470080e-02 -7.410470080e-02 5.40 -7.107486306e-02 -7.107486306e-02 5.42 -6.816043853e-02 -6.816043853e-02 5.44 -6.534696090e-02 -6.534696090e-02 5.46 -6.262118820e-02 -6.262118820e-02 5.48 -5.997108425e-02 -5.997108425e-02 5.50 -5.738580475e-02 -5.738580475e-02 5.52 -5.485569568e-02 -5.485569568e-02 5.54 -5.237230912e-02 -5.237230912e-02 5.56 -4.992843860e-02 -4.992843860e-02 5.58 -4.751817342e-02 -4.751817342e-02 5.60 -4.513696808e-02 -4.513696808e-02 5.62 -4.278172020e-02 -4.278172020e-02 5.64 -4.045084678e-02 -4.045084678e-02 5.66 -3.814434632e-02 -3.814434632e-02 5.68 -3.586383193e-02 -3.586383193e-02 5.70 -3.361251984e-02 -3.361251984e-02 5.72 -3.139515883e-02 -3.139515883e-02 5.74 -2.921788883e-02 -2.921788883e-02 5.76 -2.708802279e-02 -2.708802279e-02 5.78 -2.501375344e-02 -2.501375344e-02 5.80 -2.300379378e-02 -2.300379378e-02 5.82 -2.106697228e-02 -2.106697228e-02 5.84 -1.921180861e-02 -1.921180861e-02 5.86 -1.744610036e-02 -1.744610036e-02 5.88 -1.577655269e-02 -1.577655269e-02 5.90 -1.420847879e-02 -1.420847879e-02 5.92 -1.274549626e-02 -1.274549626e-02 5.94 -1.138938785e-02 -1.138938785e-02 5.96 -1.014061211e-02 -1.014061211e-02 5.98 -8.997978391e-03 -8.997978391e-03 6.00 -7.958787863e-03 -7.958787863e-03