# 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 # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgAuCu2 # 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 2024-11-27 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 3.761281355e+02 3.761281355e+02 1.12 3.466151924e+02 3.466151924e+02 1.14 3.195278237e+02 3.195278237e+02 1.16 2.946469662e+02 2.946469662e+02 1.18 2.717742562e+02 2.717742562e+02 1.20 2.507305215e+02 2.507305215e+02 1.22 2.313535362e+02 2.313535362e+02 1.24 2.134966213e+02 2.134966213e+02 1.26 1.970292555e+02 1.970292555e+02 1.28 1.818359096e+02 1.818359096e+02 1.30 1.678132741e+02 1.678132741e+02 1.32 1.548675287e+02 1.548675287e+02 1.34 1.429126292e+02 1.429126292e+02 1.36 1.318691263e+02 1.318691263e+02 1.38 1.216637134e+02 1.216637134e+02 1.40 1.122288364e+02 1.122288364e+02 1.42 1.035026778e+02 1.035026778e+02 1.44 9.542878011e+01 9.542878011e+01 1.46 8.795527021e+01 8.795527021e+01 1.48 8.103473701e+01 8.103473701e+01 1.50 7.462404071e+01 7.462404071e+01 1.52 6.868403297e+01 6.868403297e+01 1.54 6.317903590e+01 6.317903590e+01 1.56 5.807606273e+01 5.807606273e+01 1.58 5.334430534e+01 5.334430534e+01 1.60 4.895525189e+01 4.895525189e+01 1.62 4.488283545e+01 4.488283545e+01 1.64 4.110354637e+01 4.110354637e+01 1.66 3.759602057e+01 3.759602057e+01 1.68 3.434065075e+01 3.434065075e+01 1.70 3.131922226e+01 3.131922226e+01 1.72 2.851481518e+01 2.851481518e+01 1.74 2.591173608e+01 2.591173608e+01 1.76 2.349554938e+01 2.349554938e+01 1.78 2.125300982e+01 2.125300982e+01 1.80 1.917192141e+01 1.917192141e+01 1.82 1.724490233e+01 1.724490233e+01 1.84 1.546537543e+01 1.546537543e+01 1.86 1.382332705e+01 1.382332705e+01 1.88 1.230888446e+01 1.230888446e+01 1.90 1.091249984e+01 1.091249984e+01 1.92 9.625335593e+00 9.625335593e+00 1.94 8.439208383e+00 8.439208383e+00 1.96 7.346512452e+00 7.346512452e+00 1.98 6.340223280e+00 6.340223280e+00 2.00 5.413875546e+00 5.413875546e+00 2.02 4.561567367e+00 4.561567367e+00 2.04 3.777937902e+00 3.777937902e+00 2.06 3.058126861e+00 3.058126861e+00 2.08 2.397677229e+00 2.397677229e+00 2.10 1.792464113e+00 1.792464113e+00 2.12 1.238622357e+00 1.238622357e+00 2.14 7.325171804e-01 7.325171804e-01 2.16 2.707014996e-01 2.707014996e-01 2.18 -1.500931872e-01 -1.500931872e-01 2.20 -5.329355547e-01 -5.329355547e-01 2.22 -8.807266524e-01 -8.807266524e-01 2.24 -1.196160188e+00 -1.196160188e+00 2.26 -1.481752219e+00 -1.481752219e+00 2.28 -1.739811609e+00 -1.739811609e+00 2.30 -1.972495024e+00 -1.972495024e+00 2.32 -2.181797331e+00 -2.181797331e+00 2.34 -2.369589409e+00 -2.369589409e+00 2.36 -2.537600776e+00 -2.537600776e+00 2.38 -2.687418735e+00 -2.687418735e+00 2.40 -2.820476321e+00 -2.820476321e+00 2.42 -2.938059197e+00 -2.938059197e+00 2.44 -3.041319300e+00 -3.041319300e+00 2.46 -3.131301742e+00 -3.131301742e+00 2.48 -3.208973122e+00 -3.208973122e+00 2.50 -3.275246810e+00 -3.275246810e+00 2.52 -3.331064885e+00 -3.331064885e+00 2.54 -3.377238220e+00 -3.377238220e+00 2.56 -3.414501203e+00 -3.414501203e+00 2.58 -3.443614305e+00 -3.443614305e+00 2.60 -3.465779313e+00 -3.465779313e+00 2.62 -3.481454868e+00 -3.481454868e+00 2.64 -3.490825025e+00 -3.490825025e+00 2.66 -3.494142619e+00 -3.494142619e+00 2.68 -3.491711991e+00 -3.491711991e+00 2.70 -3.483869716e+00 -3.483869716e+00 2.72 -3.471040060e+00 -3.471040060e+00 2.74 -3.453633426e+00 -3.453633426e+00 2.76 -3.431973474e+00 -3.431973474e+00 2.78 -3.406393475e+00 -3.406393475e+00 2.80 -3.377192175e+00 -3.377192175e+00 2.82 -3.344636187e+00 -3.344636187e+00 2.84 -3.308953027e+00 -3.308953027e+00 2.86 -3.270344414e+00 -3.270344414e+00 2.88 -3.228995641e+00 -3.228995641e+00 2.90 -3.185093118e+00 -3.185093118e+00 2.92 -3.138826023e+00 -3.138826023e+00 2.94 -3.090392237e+00 -3.090392237e+00 2.96 -3.040003469e+00 -3.040003469e+00 2.98 -2.987886488e+00 -2.987886488e+00 3.00 -2.934285304e+00 -2.934285304e+00 3.02 -2.879457848e+00 -2.879457848e+00 3.04 -2.823671663e+00 -2.823671663e+00 3.06 -2.767197140e+00 -2.767197140e+00 3.08 -2.710296392e+00 -2.710296392e+00 3.10 -2.653212819e+00 -2.653212819e+00 3.12 -2.596161374e+00 -2.596161374e+00 3.14 -2.539320464e+00 -2.539320464e+00 3.16 -2.482828541e+00 -2.482828541e+00 3.18 -2.426784038e+00 -2.426784038e+00 3.20 -2.371248739e+00 -2.371248739e+00 3.22 -2.316254407e+00 -2.316254407e+00 3.24 -2.261809094e+00 -2.261809094e+00 3.26 -2.207908824e+00 -2.207908824e+00 3.28 -2.154538521e+00 -2.154538521e+00 3.30 -2.101680796e+00 -2.101680796e+00 3.32 -2.049321640e+00 -2.049321640e+00 3.34 -1.997453426e+00 -1.997453426e+00 3.36 -1.946075270e+00 -1.946075270e+00 3.38 -1.895193597e+00 -1.895193597e+00 3.40 -1.844833850e+00 -1.844833850e+00 3.42 -1.795018628e+00 -1.795018628e+00 3.44 -1.745778159e+00 -1.745778159e+00 3.46 -1.697149277e+00 -1.697149277e+00 3.48 -1.649168435e+00 -1.649168435e+00 3.50 -1.601871089e+00 -1.601871089e+00 3.52 -1.555291312e+00 -1.555291312e+00 3.54 -1.509456897e+00 -1.509456897e+00 3.56 -1.464391762e+00 -1.464391762e+00 3.58 -1.420112471e+00 -1.420112471e+00 3.60 -1.376630984e+00 -1.376630984e+00 3.62 -1.333952540e+00 -1.333952540e+00 3.64 -1.292078352e+00 -1.292078352e+00 3.66 -1.251006077e+00 -1.251006077e+00 3.68 -1.210731445e+00 -1.210731445e+00 3.70 -1.171250303e+00 -1.171250303e+00 3.72 -1.132561460e+00 -1.132561460e+00 3.74 -1.094665609e+00 -1.094665609e+00 3.76 -1.057571032e+00 -1.057571032e+00 3.78 -1.021289621e+00 -1.021289621e+00 3.80 -9.858418881e-01 -9.858418881e-01 3.82 -9.512514623e-01 -9.512514623e-01 3.84 -9.175475748e-01 -9.175475748e-01 3.86 -8.847572190e-01 -8.847572190e-01 3.88 -8.529075253e-01 -8.529075253e-01 3.90 -8.220170701e-01 -8.220170701e-01 3.92 -7.920973440e-01 -7.920973440e-01 3.94 -7.631473729e-01 -7.631473729e-01 3.96 -7.351525380e-01 -7.351525380e-01 3.98 -7.080938552e-01 -7.080938552e-01 4.00 -6.819333611e-01 -6.819333611e-01 4.02 -6.566261537e-01 -6.566261537e-01 4.04 -6.321215269e-01 -6.321215269e-01 4.06 -6.083643171e-01 -6.083643171e-01 4.08 -5.852955216e-01 -5.852955216e-01 4.10 -5.628571719e-01 -5.628571719e-01 4.12 -5.409930263e-01 -5.409930263e-01 4.14 -5.196487111e-01 -5.196487111e-01 4.16 -4.987750856e-01 -4.987750856e-01 4.18 -4.783281054e-01 -4.783281054e-01 4.20 -4.582713944e-01 -4.582713944e-01 4.22 -4.385753255e-01 -4.385753255e-01 4.24 -4.192201660e-01 -4.192201660e-01 4.26 -4.001947178e-01 -4.001947178e-01 4.28 -3.814973231e-01 -3.814973231e-01 4.30 -3.631368990e-01 -3.631368990e-01 4.32 -3.451323518e-01 -3.451323518e-01 4.34 -3.275108678e-01 -3.275108678e-01 4.36 -3.103073350e-01 -3.103073350e-01 4.38 -2.935632304e-01 -2.935632304e-01 4.40 -2.773241229e-01 -2.773241229e-01 4.42 -2.616356296e-01 -2.616356296e-01 4.44 -2.465433699e-01 -2.465433699e-01 4.46 -2.320888397e-01 -2.320888397e-01 4.48 -2.183060062e-01 -2.183060062e-01 4.50 -2.052207406e-01 -2.052207406e-01 4.52 -1.928483250e-01 -1.928483250e-01 4.54 -1.811929898e-01 -1.811929898e-01 4.56 -1.702466747e-01 -1.702466747e-01 4.58 -1.599912721e-01 -1.599912721e-01 4.60 -1.503986956e-01 -1.503986956e-01 4.62 -1.414334015e-01 -1.414334015e-01 4.64 -1.330527740e-01 -1.330527740e-01 4.66 -1.252111096e-01 -1.252111096e-01 4.68 -1.178605363e-01 -1.178605363e-01 4.70 -1.109526062e-01 -1.109526062e-01 4.72 -1.044401187e-01 -1.044401187e-01 4.74 -9.827845853e-02 -9.827845853e-02 4.76 -9.242598421e-02 -9.242598421e-02 4.78 -8.684588529e-02 -8.684588529e-02 4.80 -8.150613583e-02 -8.150613583e-02 4.82 -7.637946939e-02 -7.637946939e-02 4.84 -7.144352323e-02 -7.144352323e-02 4.86 -6.668133902e-02 -6.668133902e-02 4.88 -6.208118424e-02 -6.208118424e-02 4.90 -5.763578147e-02 -5.763578147e-02 4.92 -5.334249425e-02 -5.334249425e-02 4.94 -4.920261610e-02 -4.920261610e-02 4.96 -4.522054915e-02 -4.522054915e-02 4.98 -4.140294066e-02 -4.140294066e-02 5.00 -3.775813801e-02 -3.775813801e-02 5.02 -3.429506769e-02 -3.429506769e-02 5.04 -3.102211208e-02 -3.102211208e-02 5.06 -2.794667772e-02 -2.794667772e-02 5.08 -2.507442398e-02 -2.507442398e-02 5.10 -2.240857420e-02 -2.240857420e-02 5.12 -1.994983319e-02 -1.994983319e-02 5.14 -1.769625928e-02 -1.769625928e-02 5.16 -1.564341653e-02 -1.564341653e-02 5.18 -1.378431991e-02 -1.378431991e-02 5.20 -1.211010481e-02 -1.211010481e-02 5.22 -1.061027206e-02 -1.061027206e-02 5.24 -9.272982640e-03 -9.272982640e-03 5.26 -8.086132256e-03 -8.086132256e-03 5.28 -7.037228900e-03 -7.037228900e-03 5.30 -6.113789556e-03 -6.113789556e-03 5.32 -5.303510810e-03 -5.303510810e-03 5.34 -4.594688884e-03 -4.594688884e-03 5.36 -3.976256109e-03 -3.976256109e-03 5.38 -3.437949992e-03 -3.437949992e-03 5.40 -2.970314804e-03 -2.970314804e-03 5.42 -2.564772658e-03 -2.564772658e-03 5.44 -2.213612524e-03 -2.213612524e-03 5.46 -1.909898152e-03 -1.909898152e-03 5.48 -1.647494345e-03 -1.647494345e-03 5.50 -1.420967965e-03 -1.420967965e-03 5.52 -1.225551177e-03 -1.225551177e-03 5.54 -1.057050797e-03 -1.057050797e-03 5.56 -9.118164996e-04 -9.118164996e-04 5.58 -7.866752620e-04 -7.866752620e-04 5.60 -6.774264095e-04 -6.774264095e-04 5.62 -5.847349549e-04 -5.847349549e-04 5.64 -5.048802437e-04 -5.048802437e-04 5.66 -4.360786629e-04 -4.360786629e-04 5.68 -3.767916724e-04 -3.767916724e-04 5.70 -3.256930909e-04 -3.256930909e-04 5.72 -2.816427607e-04 -2.816427607e-04 5.74 -2.436545328e-04 -2.436545328e-04 5.76 -2.108855036e-04 -2.108855036e-04 5.78 -1.826085894e-04 -1.826085894e-04 5.80 -1.581975887e-04 -1.581975887e-04 5.82 -1.371166906e-04 -1.371166906e-04 5.84 -1.189029628e-04 -1.189029628e-04 5.86 -1.031602381e-04 -1.031602381e-04 5.88 -8.954643653e-05 -8.954643653e-05 5.90 -7.776882908e-05 -7.776882908e-05 5.92 -6.757471103e-05 -6.757471103e-05 5.94 -5.874649324e-05 -5.874649324e-05 5.96 -5.109805084e-05 -5.109805084e-05 5.98 -4.446811090e-05 -4.446811090e-05 6.00 -3.871824987e-05 -3.871824987e-05