# 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 = AuMgNi2 # 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 2.363495378e+02 2.363495378e+02 1.30 2.180483591e+02 2.180483591e+02 1.32 2.011568646e+02 2.011568646e+02 1.34 1.855588042e+02 1.855588042e+02 1.36 1.711498917e+02 1.711498917e+02 1.38 1.578361911e+02 1.578361911e+02 1.40 1.455320041e+02 1.455320041e+02 1.42 1.341581793e+02 1.341581793e+02 1.44 1.236411277e+02 1.236411277e+02 1.46 1.139125413e+02 1.139125413e+02 1.48 1.049096426e+02 1.049096426e+02 1.50 9.657547978e+01 9.657547978e+01 1.52 8.885869165e+01 8.885869165e+01 1.54 8.171264034e+01 8.171264034e+01 1.56 7.509432028e+01 7.509432028e+01 1.58 6.896356808e+01 6.896356808e+01 1.60 6.328280420e+01 6.328280420e+01 1.62 5.801890766e+01 5.801890766e+01 1.64 5.315150624e+01 5.315150624e+01 1.66 4.865224310e+01 4.865224310e+01 1.68 4.449293743e+01 4.449293743e+01 1.70 4.064792700e+01 4.064792700e+01 1.72 3.709355644e+01 3.709355644e+01 1.74 3.380798217e+01 3.380798217e+01 1.76 3.077110626e+01 3.077110626e+01 1.78 2.796454918e+01 2.796454918e+01 1.80 2.537155585e+01 2.537155585e+01 1.82 2.297680214e+01 2.297680214e+01 1.84 2.076615401e+01 2.076615401e+01 1.86 1.872645692e+01 1.872645692e+01 1.88 1.684536836e+01 1.684536836e+01 1.90 1.511123515e+01 1.511123515e+01 1.92 1.351301459e+01 1.351301459e+01 1.94 1.204025920e+01 1.204025920e+01 1.96 1.068316069e+01 1.068316069e+01 1.98 9.432630481e+00 9.432630481e+00 2.00 8.280365930e+00 8.280365930e+00 2.02 7.218861280e+00 7.218861280e+00 2.04 6.241356570e+00 6.241356570e+00 2.06 5.341745373e+00 5.341745373e+00 2.08 4.514471987e+00 4.514471987e+00 2.10 3.754440129e+00 3.754440129e+00 2.12 3.056944604e+00 3.056944604e+00 2.14 2.417620499e+00 2.417620499e+00 2.16 1.832402896e+00 1.832402896e+00 2.18 1.297488262e+00 1.297488262e+00 2.20 8.092983047e-01 8.092983047e-01 2.22 3.644490936e-01 3.644490936e-01 2.24 -4.026658173e-02 -4.026658173e-02 2.26 -4.078836344e-01 -4.078836344e-01 2.28 -7.412626328e-01 -7.412626328e-01 2.30 -1.043091063e+00 -1.043091063e+00 2.32 -1.315893761e+00 -1.315893761e+00 2.34 -1.562043354e+00 -1.562043354e+00 2.36 -1.783763944e+00 -1.783763944e+00 2.38 -1.983119314e+00 -1.983119314e+00 2.40 -2.161994277e+00 -2.161994277e+00 2.42 -2.322083483e+00 -2.322083483e+00 2.44 -2.464897238e+00 -2.464897238e+00 2.46 -2.591783065e+00 -2.591783065e+00 2.48 -2.703954371e+00 -2.703954371e+00 2.50 -2.802525491e+00 -2.802525491e+00 2.52 -2.888533940e+00 -2.888533940e+00 2.54 -2.963026624e+00 -2.963026624e+00 2.56 -3.026888440e+00 -3.026888440e+00 2.58 -3.080898468e+00 -3.080898468e+00 2.60 -3.125728221e+00 -3.125728221e+00 2.62 -3.161771603e+00 -3.161771603e+00 2.64 -3.189409953e+00 -3.189409953e+00 2.66 -3.209066952e+00 -3.209066952e+00 2.68 -3.221201083e+00 -3.221201083e+00 2.70 -3.226296212e+00 -3.226296212e+00 2.72 -3.224859020e+00 -3.224859020e+00 2.74 -3.217419750e+00 -3.217419750e+00 2.76 -3.204521453e+00 -3.204521453e+00 2.78 -3.186702997e+00 -3.186702997e+00 2.80 -3.164479864e+00 -3.164479864e+00 2.82 -3.138325767e+00 -3.138325767e+00 2.84 -3.108662198e+00 -3.108662198e+00 2.86 -3.075855671e+00 -3.075855671e+00 2.88 -3.040222548e+00 -3.040222548e+00 2.90 -3.002038447e+00 -3.002038447e+00 2.92 -2.961549177e+00 -2.961549177e+00 2.94 -2.918980969e+00 -2.918980969e+00 2.96 -2.874548848e+00 -2.874548848e+00 2.98 -2.828462782e+00 -2.828462782e+00 3.00 -2.780931604e+00 -2.780931604e+00 3.02 -2.732164791e+00 -2.732164791e+00 3.04 -2.682371966e+00 -2.682371966e+00 3.06 -2.631761434e+00 -2.631761434e+00 3.08 -2.580535240e+00 -2.580535240e+00 3.10 -2.528885612e+00 -2.528885612e+00 3.12 -2.476996168e+00 -2.476996168e+00 3.14 -2.425042494e+00 -2.425042494e+00 3.16 -2.373147782e+00 -2.373147782e+00 3.18 -2.321418280e+00 -2.321418280e+00 3.20 -2.269947255e+00 -2.269947255e+00 3.22 -2.218816635e+00 -2.218816635e+00 3.24 -2.168098976e+00 -2.168098976e+00 3.26 -2.117859276e+00 -2.117859276e+00 3.28 -2.068154185e+00 -2.068154185e+00 3.30 -2.019012130e+00 -2.019012130e+00 3.32 -1.970446435e+00 -1.970446435e+00 3.34 -1.922472104e+00 -1.922472104e+00 3.36 -1.875104118e+00 -1.875104118e+00 3.38 -1.828355754e+00 -1.828355754e+00 3.40 -1.782237330e+00 -1.782237330e+00 3.42 -1.736755707e+00 -1.736755707e+00 3.44 -1.691913842e+00 -1.691913842e+00 3.46 -1.647711167e+00 -1.647711167e+00 3.48 -1.604143966e+00 -1.604143966e+00 3.50 -1.561205932e+00 -1.561205932e+00 3.52 -1.518888787e+00 -1.518888787e+00 3.54 -1.477182921e+00 -1.477182921e+00 3.56 -1.436078011e+00 -1.436078011e+00 3.58 -1.395563592e+00 -1.395563592e+00 3.60 -1.355629560e+00 -1.355629560e+00 3.62 -1.316266608e+00 -1.316266608e+00 3.64 -1.277466603e+00 -1.277466603e+00 3.66 -1.239222974e+00 -1.239222974e+00 3.68 -1.201531183e+00 -1.201531183e+00 3.70 -1.164389329e+00 -1.164389329e+00 3.72 -1.127798970e+00 -1.127798970e+00 3.74 -1.091766133e+00 -1.091766133e+00 3.76 -1.056302452e+00 -1.056302452e+00 3.78 -1.021426253e+00 -1.021426253e+00 3.80 -9.871633566e-01 -9.871633566e-01 3.82 -9.535472834e-01 -9.535472834e-01 3.84 -9.206185845e-01 -9.206185845e-01 3.86 -8.884231135e-01 -8.884231135e-01 3.88 -8.570092257e-01 -8.570092257e-01 3.90 -8.264241294e-01 -8.264241294e-01 3.92 -7.967097320e-01 -7.967097320e-01 3.94 -7.678991711e-01 -7.678991711e-01 3.96 -7.400130233e-01 -7.400130233e-01 3.98 -7.130578274e-01 -7.130578274e-01 4.00 -6.870254030e-01 -6.870254030e-01 4.02 -6.618936187e-01 -6.618936187e-01 4.04 -6.376282108e-01 -6.376282108e-01 4.06 -6.141852702e-01 -6.141852702e-01 4.08 -5.915140054e-01 -5.915140054e-01 4.10 -5.695591741e-01 -5.695591741e-01 4.12 -5.482647451e-01 -5.482647451e-01 4.14 -5.275740830e-01 -5.275740830e-01 4.16 -5.074329991e-01 -5.074329991e-01 4.18 -4.877907443e-01 -4.877907443e-01 4.20 -4.686010738e-01 -4.686010738e-01 4.22 -4.498230904e-01 -4.498230904e-01 4.24 -4.314219233e-01 -4.314219233e-01 4.26 -4.133692836e-01 -4.133692836e-01 4.28 -3.956439221e-01 -3.956439221e-01 4.30 -3.782319999e-01 -3.782319999e-01 4.32 -3.611273706e-01 -3.611273706e-01 4.34 -3.443317563e-01 -3.443317563e-01 4.36 -3.278547832e-01 -3.278547832e-01 4.38 -3.117138208e-01 -3.117138208e-01 4.40 -2.959335460e-01 -2.959335460e-01 4.42 -2.805451423e-01 -2.805451423e-01 4.44 -2.655850542e-01 -2.655850542e-01 4.46 -2.510932531e-01 -2.510932531e-01 4.48 -2.371110435e-01 -2.371110435e-01 4.50 -2.236785269e-01 -2.236785269e-01 4.52 -2.108319270e-01 -2.108319270e-01 4.54 -1.986010459e-01 -1.986010459e-01 4.56 -1.870071310e-01 -1.870071310e-01 4.58 -1.760613892e-01 -1.760613892e-01 4.60 -1.657642985e-01 -1.657642985e-01 4.62 -1.561057460e-01 -1.561057460e-01 4.64 -1.470659150e-01 -1.470659150e-01 4.66 -1.386167594e-01 -1.386167594e-01 4.68 -1.307238265e-01 -1.307238265e-01 4.70 -1.233482532e-01 -1.233482532e-01 4.72 -1.164487467e-01 -1.164487467e-01 4.74 -1.099831711e-01 -1.099831711e-01 4.76 -1.039094958e-01 -1.039094958e-01 4.78 -9.818965497e-02 -9.818965497e-02 4.80 -9.278822748e-02 -9.278822748e-02 4.82 -8.767379806e-02 -8.767379806e-02 4.84 -8.281818656e-02 -8.281818656e-02 4.86 -7.819768409e-02 -7.819768409e-02 4.88 -7.379284815e-02 -7.379284815e-02 4.90 -6.958835346e-02 -6.958835346e-02 4.92 -6.557268236e-02 -6.557268236e-02 4.94 -6.173766203e-02 -6.173766203e-02 4.96 -5.807792772e-02 -5.807792772e-02 4.98 -5.459038524e-02 -5.459038524e-02 5.00 -5.127348903e-02 -5.127348903e-02 5.02 -4.812658783e-02 -4.812658783e-02 5.04 -4.514931094e-02 -4.514931094e-02 5.06 -4.234102851e-02 -4.234102851e-02 5.08 -3.970041582e-02 -3.970041582e-02 5.10 -3.722514124e-02 -3.722514124e-02 5.12 -3.491168531e-02 -3.491168531e-02 5.14 -3.275528581e-02 -3.275528581e-02 5.16 -3.074999352e-02 -3.074999352e-02 5.18 -2.888881556e-02 -2.888881556e-02 5.20 -2.716391867e-02 -2.716391867e-02 5.22 -2.556686703e-02 -2.556686703e-02 5.24 -2.408886973e-02 -2.408886973e-02 5.26 -2.272101821e-02 -2.272101821e-02 5.28 -2.145449981e-02 -2.145449981e-02 5.30 -2.028077842e-02 -2.028077842e-02 5.32 -1.919173817e-02 -1.919173817e-02 5.34 -1.817978925e-02 -1.817978925e-02 5.36 -1.723793773e-02 -1.723793773e-02 5.38 -1.635982244e-02 -1.635982244e-02 5.40 -1.553972334e-02 -1.553972334e-02 5.42 -1.477252475e-02 -1.477252475e-02 5.44 -1.405367363e-02 -1.405367363e-02 5.46 -1.337922321e-02 -1.337922321e-02 5.48 -1.274570394e-02 -1.274570394e-02 5.50 -1.215005467e-02 -1.215005467e-02 5.52 -1.158955685e-02 -1.158955685e-02 5.54 -1.106177146e-02 -1.106177146e-02 5.56 -1.056448197e-02 -1.056448197e-02 5.58 -1.009564579e-02 -1.009564579e-02 5.60 -9.653355637e-03 -9.653355637e-03 5.62 -9.235810882e-03 -9.235810882e-03 5.64 -8.841298370e-03 -8.841298370e-03 5.66 -8.468181126e-03 -8.468181126e-03 5.68 -8.114893171e-03 -8.114893171e-03 5.70 -7.779938512e-03 -7.779938512e-03 5.72 -7.461892503e-03 -7.461892503e-03 5.74 -7.159404122e-03 -7.159404122e-03 5.76 -6.871198090e-03 -6.871198090e-03 5.78 -6.596076152e-03 -6.596076152e-03 5.80 -6.332917216e-03 -6.332917216e-03 5.82 -6.080676280e-03 -6.080676280e-03 5.84 -5.838382315e-03 -5.838382315e-03 5.86 -5.605135357e-03 -5.605135357e-03 5.88 -5.380103122e-03 -5.380103122e-03 5.90 -5.162517472e-03 -5.162517472e-03 5.92 -4.951671052e-03 -4.951671052e-03 5.94 -4.746914342e-03 -4.746914342e-03 5.96 -4.547653359e-03 -4.547653359e-03 5.98 -4.353348171e-03 -4.353348171e-03 6.00 -4.163512339e-03 -4.163512339e-03