# 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 = AlAu2Zr # 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 3.117148484e+02 3.117148484e+02 1.30 2.904479480e+02 2.904479480e+02 1.32 2.706878670e+02 2.706878670e+02 1.34 2.523149156e+02 2.523149156e+02 1.36 2.352202178e+02 2.352202178e+02 1.38 2.193041910e+02 2.193041910e+02 1.40 2.044755792e+02 2.044755792e+02 1.42 1.906513758e+02 1.906513758e+02 1.44 1.777570310e+02 1.777570310e+02 1.46 1.657257552e+02 1.657257552e+02 1.48 1.544968431e+02 1.544968431e+02 1.50 1.440141486e+02 1.440141486e+02 1.52 1.342253831e+02 1.342253831e+02 1.54 1.250818079e+02 1.250818079e+02 1.56 1.165378673e+02 1.165378673e+02 1.58 1.085505702e+02 1.085505702e+02 1.60 1.010792423e+02 1.010792423e+02 1.62 9.408582454e+01 9.408582454e+01 1.64 8.753551242e+01 8.753551242e+01 1.66 8.139706320e+01 8.139706320e+01 1.68 7.564256267e+01 7.564256267e+01 1.70 7.024667465e+01 7.024667465e+01 1.72 6.518581403e+01 6.518581403e+01 1.74 6.043764457e+01 6.043764457e+01 1.76 5.598102367e+01 5.598102367e+01 1.78 5.179615010e+01 5.179615010e+01 1.80 4.786468357e+01 4.786468357e+01 1.82 4.416970467e+01 4.416970467e+01 1.84 4.069617098e+01 4.069617098e+01 1.86 3.744357200e+01 3.744357200e+01 1.88 3.440716794e+01 3.440716794e+01 1.90 3.157359194e+01 3.157359194e+01 1.92 2.893064418e+01 2.893064418e+01 1.94 2.646588974e+01 2.646588974e+01 1.96 2.416780238e+01 2.416780238e+01 1.98 2.202572241e+01 2.202572241e+01 2.00 2.002976442e+01 2.002976442e+01 2.02 1.817068048e+01 1.817068048e+01 2.04 1.643973650e+01 1.643973650e+01 2.06 1.482864181e+01 1.482864181e+01 2.08 1.332953367e+01 1.332953367e+01 2.10 1.193500004e+01 1.193500004e+01 2.12 1.063807288e+01 1.063807288e+01 2.14 9.432213280e+00 9.432213280e+00 2.16 8.311271752e+00 8.311271752e+00 2.18 7.269452495e+00 7.269452495e+00 2.20 6.301307090e+00 6.301307090e+00 2.22 5.401733012e+00 5.401733012e+00 2.24 4.565984254e+00 4.565984254e+00 2.26 3.789680894e+00 3.789680894e+00 2.28 3.068809101e+00 3.068809101e+00 2.30 2.399718125e+00 2.399718125e+00 2.32 1.779100542e+00 1.779100542e+00 2.34 1.203944918e+00 1.203944918e+00 2.36 6.714992079e-01 6.714992079e-01 2.38 1.792219260e-01 1.792219260e-01 2.40 -2.752593937e-01 -2.752593937e-01 2.42 -6.941862941e-01 -6.941862941e-01 2.44 -1.079691556e+00 -1.079691556e+00 2.46 -1.433819685e+00 -1.433819685e+00 2.48 -1.758533888e+00 -1.758533888e+00 2.50 -2.055717396e+00 -2.055717396e+00 2.52 -2.327172516e+00 -2.327172516e+00 2.54 -2.574621261e+00 -2.574621261e+00 2.56 -2.799708876e+00 -2.799708876e+00 2.58 -3.004008741e+00 -3.004008741e+00 2.60 -3.189068973e+00 -3.189068973e+00 2.62 -3.356335799e+00 -3.356335799e+00 2.64 -3.507093693e+00 -3.507093693e+00 2.66 -3.642558887e+00 -3.642558887e+00 2.68 -3.763865293e+00 -3.763865293e+00 2.70 -3.872054219e+00 -3.872054219e+00 2.72 -3.968071683e+00 -3.968071683e+00 2.74 -4.052772773e+00 -4.052772773e+00 2.76 -4.126892216e+00 -4.126892216e+00 2.78 -4.190982779e+00 -4.190982779e+00 2.80 -4.245552877e+00 -4.245552877e+00 2.82 -4.291085920e+00 -4.291085920e+00 2.84 -4.328047835e+00 -4.328047835e+00 2.86 -4.356886072e+00 -4.356886072e+00 2.88 -4.378031616e+00 -4.378031616e+00 2.90 -4.391901905e+00 -4.391901905e+00 2.92 -4.398904554e+00 -4.398904554e+00 2.94 -4.399630677e+00 -4.399630677e+00 2.96 -4.395119918e+00 -4.395119918e+00 2.98 -4.385633243e+00 -4.385633243e+00 3.00 -4.371236038e+00 -4.371236038e+00 3.02 -4.352055199e+00 -4.352055199e+00 3.04 -4.328276846e+00 -4.328276846e+00 3.06 -4.300142833e+00 -4.300142833e+00 3.08 -4.267929753e+00 -4.267929753e+00 3.10 -4.231943272e+00 -4.231943272e+00 3.12 -4.192511707e+00 -4.192511707e+00 3.14 -4.149969631e+00 -4.149969631e+00 3.16 -4.104623998e+00 -4.104623998e+00 3.18 -4.056754618e+00 -4.056754618e+00 3.20 -4.006617568e+00 -4.006617568e+00 3.22 -3.954446914e+00 -3.954446914e+00 3.24 -3.900458232e+00 -3.900458232e+00 3.26 -3.844853302e+00 -3.844853302e+00 3.28 -3.787824632e+00 -3.787824632e+00 3.30 -3.729558588e+00 -3.729558588e+00 3.32 -3.670236289e+00 -3.670236289e+00 3.34 -3.610032194e+00 -3.610032194e+00 3.36 -3.549111142e+00 -3.549111142e+00 3.38 -3.487625127e+00 -3.487625127e+00 3.40 -3.425710153e+00 -3.425710153e+00 3.42 -3.363489761e+00 -3.363489761e+00 3.44 -3.301070023e+00 -3.301070023e+00 3.46 -3.238546496e+00 -3.238546496e+00 3.48 -3.176005821e+00 -3.176005821e+00 3.50 -3.113528179e+00 -3.113528179e+00 3.52 -3.051188985e+00 -3.051188985e+00 3.54 -2.989059719e+00 -2.989059719e+00 3.56 -2.927208031e+00 -2.927208031e+00 3.58 -2.865697333e+00 -2.865697333e+00 3.60 -2.804586141e+00 -2.804586141e+00 3.62 -2.743927385e+00 -2.743927385e+00 3.64 -2.683767844e+00 -2.683767844e+00 3.66 -2.624147853e+00 -2.624147853e+00 3.68 -2.565101341e+00 -2.565101341e+00 3.70 -2.506656263e+00 -2.506656263e+00 3.72 -2.448835440e+00 -2.448835440e+00 3.74 -2.391657788e+00 -2.391657788e+00 3.76 -2.335139860e+00 -2.335139860e+00 3.78 -2.279297557e+00 -2.279297557e+00 3.80 -2.224147779e+00 -2.224147779e+00 3.82 -2.169709734e+00 -2.169709734e+00 3.84 -2.116005608e+00 -2.116005608e+00 3.86 -2.063060328e+00 -2.063060328e+00 3.88 -2.010900344e+00 -2.010900344e+00 3.90 -1.959551547e+00 -1.959551547e+00 3.92 -1.909035305e+00 -1.909035305e+00 3.94 -1.859371620e+00 -1.859371620e+00 3.96 -1.810568000e+00 -1.810568000e+00 3.98 -1.762624713e+00 -1.762624713e+00 4.00 -1.715533028e+00 -1.715533028e+00 4.02 -1.669276150e+00 -1.669276150e+00 4.04 -1.623830921e+00 -1.623830921e+00 4.06 -1.579169954e+00 -1.579169954e+00 4.08 -1.535263941e+00 -1.535263941e+00 4.10 -1.492080191e+00 -1.492080191e+00 4.12 -1.449600469e+00 -1.449600469e+00 4.14 -1.407798211e+00 -1.407798211e+00 4.16 -1.366657720e+00 -1.366657720e+00 4.18 -1.326171060e+00 -1.326171060e+00 4.20 -1.286339287e+00 -1.286339287e+00 4.22 -1.247173264e+00 -1.247173264e+00 4.24 -1.208693912e+00 -1.208693912e+00 4.26 -1.170931771e+00 -1.170931771e+00 4.28 -1.133925753e+00 -1.133925753e+00 4.30 -1.097721063e+00 -1.097721063e+00 4.32 -1.062366380e+00 -1.062366380e+00 4.34 -1.027910485e+00 -1.027910485e+00 4.36 -9.943986766e-01 -9.943986766e-01 4.38 -9.618693180e-01 -9.618693180e-01 4.40 -9.303509021e-01 -9.303509021e-01 4.42 -8.998599175e-01 -8.998599175e-01 4.44 -8.703996906e-01 -8.703996906e-01 4.46 -8.419602305e-01 -8.419602305e-01 4.48 -8.145189732e-01 -8.145189732e-01 4.50 -7.880422229e-01 -7.880422229e-01 4.52 -7.624870464e-01 -7.624870464e-01 4.54 -7.378033762e-01 -7.378033762e-01 4.56 -7.139361138e-01 -7.139361138e-01 4.58 -6.908270837e-01 -6.908270837e-01 4.60 -6.684167506e-01 -6.684167506e-01 4.62 -6.466456662e-01 -6.466456662e-01 4.64 -6.254556566e-01 -6.254556566e-01 4.66 -6.047907892e-01 -6.047907892e-01 4.68 -5.845981739e-01 -5.845981739e-01 4.70 -5.648286547e-01 -5.648286547e-01 4.72 -5.454374458e-01 -5.454374458e-01 4.74 -5.263847536e-01 -5.263847536e-01 4.76 -5.076364075e-01 -5.076364075e-01 4.78 -4.891645094e-01 -4.891645094e-01 4.80 -4.709449564e-01 -4.709449564e-01 4.82 -4.529710929e-01 -4.529710929e-01 4.84 -4.352337926e-01 -4.352337926e-01 4.86 -4.177361126e-01 -4.177361126e-01 4.88 -4.004896347e-01 -4.004896347e-01 4.90 -3.835142457e-01 -3.835142457e-01 4.92 -3.668375169e-01 -3.668375169e-01 4.94 -3.504936453e-01 -3.504936453e-01 4.96 -3.345219559e-01 -3.345219559e-01 4.98 -3.189650179e-01 -3.189650179e-01 5.00 -3.038664770e-01 -3.038664770e-01 5.02 -2.892687533e-01 -2.892687533e-01 5.04 -2.752107784e-01 -2.752107784e-01 5.06 -2.617259551e-01 -2.617259551e-01 5.08 -2.488404990e-01 -2.488404990e-01 5.10 -2.365722808e-01 -2.365722808e-01 5.12 -2.249302318e-01 -2.249302318e-01 5.14 -2.139143139e-01 -2.139143139e-01 5.16 -2.035160003e-01 -2.035160003e-01 5.18 -1.937191733e-01 -1.937191733e-01 5.20 -1.845013083e-01 -1.845013083e-01 5.22 -1.758346555e-01 -1.758346555e-01 5.24 -1.676881333e-01 -1.676881333e-01 5.26 -1.600285084e-01 -1.600285084e-01 5.28 -1.528215469e-01 -1.528215469e-01 5.30 -1.460331573e-01 -1.460331573e-01 5.32 -1.396303421e-01 -1.396303421e-01 5.34 -1.335819491e-01 -1.335819491e-01 5.36 -1.278592224e-01 -1.278592224e-01 5.38 -1.224361635e-01 -1.224361635e-01 5.40 -1.172897179e-01 -1.172897179e-01 5.42 -1.123997979e-01 -1.123997979e-01 5.44 -1.077491636e-01 -1.077491636e-01 5.46 -1.033231822e-01 -1.033231822e-01 5.48 -9.910949437e-02 -9.910949437e-02 5.50 -9.509760875e-02 -9.509760875e-02 5.52 -9.127847054e-02 -9.127847054e-02 5.54 -8.764402994e-02 -8.764402994e-02 5.56 -8.418684063e-02 -8.418684063e-02 5.58 -8.089971661e-02 -8.089971661e-02 5.60 -7.777543411e-02 -7.777543411e-02 5.62 -7.480642887e-02 -7.480642887e-02 5.64 -7.198513051e-02 -7.198513051e-02 5.66 -6.930366915e-02 -6.930366915e-02 5.68 -6.675385851e-02 -6.675385851e-02 5.70 -6.432728535e-02 -6.432728535e-02 5.72 -6.201542066e-02 -6.201542066e-02 5.74 -5.980973680e-02 -5.980973680e-02 5.76 -5.770181819e-02 -5.770181819e-02 5.78 -5.568345723e-02 -5.568345723e-02 5.80 -5.374673117e-02 -5.374673117e-02 5.82 -5.188405859e-02 -5.188405859e-02 5.84 -5.008823685e-02 -5.008823685e-02 5.86 -4.835246298e-02 -4.835246298e-02 5.88 -4.667034189e-02 -4.667034189e-02 5.90 -4.503588553e-02 -4.503588553e-02 5.92 -4.344350705e-02 -4.344350705e-02 5.94 -4.188801334e-02 -4.188801334e-02 5.96 -4.036459913e-02 -4.036459913e-02 5.98 -3.886884511e-02 -3.886884511e-02 6.00 -3.739672215e-02 -3.739672215e-02