# 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 = MgMoTa2 # 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 4.365294742e+02 4.365294742e+02 1.30 4.049361580e+02 4.049361580e+02 1.32 3.756873950e+02 3.756873950e+02 1.34 3.485897964e+02 3.485897964e+02 1.36 3.234677010e+02 3.234677010e+02 1.38 3.001619311e+02 3.001619311e+02 1.40 2.785287825e+02 2.785287825e+02 1.42 2.584388239e+02 2.584388239e+02 1.44 2.397750188e+02 2.397750188e+02 1.46 2.224303381e+02 2.224303381e+02 1.48 2.063055533e+02 2.063055533e+02 1.50 1.913078809e+02 1.913078809e+02 1.52 1.773507348e+02 1.773507348e+02 1.54 1.643543333e+02 1.643543333e+02 1.56 1.522465283e+02 1.522465283e+02 1.58 1.409631347e+02 1.409631347e+02 1.60 1.304473615e+02 1.304473615e+02 1.62 1.206484865e+02 1.206484865e+02 1.64 1.115202875e+02 1.115202875e+02 1.66 1.030197195e+02 1.030197195e+02 1.68 9.510607523e+01 9.510607523e+01 1.70 8.774059431e+01 8.774059431e+01 1.72 8.088635618e+01 8.088635618e+01 1.74 7.450830460e+01 7.450830460e+01 1.76 6.857331452e+01 6.857331452e+01 1.78 6.305027037e+01 6.305027037e+01 1.80 5.791014147e+01 5.791014147e+01 1.82 5.312603663e+01 5.312603663e+01 1.84 4.867320410e+01 4.867320410e+01 1.86 4.453161879e+01 4.453161879e+01 1.88 4.068795225e+01 4.068795225e+01 1.90 3.712238734e+01 3.712238734e+01 1.92 3.381746330e+01 3.381746330e+01 1.94 3.075615731e+01 3.075615731e+01 1.96 2.792083271e+01 2.792083271e+01 1.98 2.529467367e+01 2.529467367e+01 2.00 2.286158985e+01 2.286158985e+01 2.02 2.060636035e+01 2.060636035e+01 2.04 1.851483763e+01 1.851483763e+01 2.06 1.657411374e+01 1.657411374e+01 2.08 1.477258948e+01 1.477258948e+01 2.10 1.309993364e+01 1.309993364e+01 2.12 1.154696061e+01 1.154696061e+01 2.14 1.010547384e+01 1.010547384e+01 2.16 8.768112288e+00 8.768112288e+00 2.18 7.528214448e+00 7.528214448e+00 2.20 6.379700466e+00 6.379700466e+00 2.22 5.316963559e+00 5.316963559e+00 2.24 4.334769075e+00 4.334769075e+00 2.26 3.428161684e+00 3.428161684e+00 2.28 2.592384618e+00 2.592384618e+00 2.30 1.822819619e+00 1.822819619e+00 2.32 1.114950486e+00 1.114950486e+00 2.34 4.643599238e-01 4.643599238e-01 2.36 -1.332441376e-01 -1.332441376e-01 2.38 -6.819773875e-01 -6.819773875e-01 2.40 -1.185718047e+00 -1.185718047e+00 2.42 -1.648052523e+00 -1.648052523e+00 2.44 -2.072240020e+00 -2.072240020e+00 2.46 -2.461203812e+00 -2.461203812e+00 2.48 -2.817546301e+00 -2.817546301e+00 2.50 -3.143581468e+00 -3.143581468e+00 2.52 -3.441375852e+00 -3.441375852e+00 2.54 -3.712790370e+00 -3.712790370e+00 2.56 -3.959402993e+00 -3.959402993e+00 2.58 -4.182712012e+00 -4.182712012e+00 2.60 -4.384351245e+00 -4.384351245e+00 2.62 -4.565821402e+00 -4.565821402e+00 2.64 -4.728508468e+00 -4.728508468e+00 2.66 -4.873697841e+00 -4.873697841e+00 2.68 -5.002585116e+00 -5.002585116e+00 2.70 -5.116282399e+00 -5.116282399e+00 2.72 -5.215800373e+00 -5.215800373e+00 2.74 -5.301804123e+00 -5.301804123e+00 2.76 -5.374682439e+00 -5.374682439e+00 2.78 -5.434979204e+00 -5.434979204e+00 2.80 -5.483274180e+00 -5.483274180e+00 2.82 -5.520126213e+00 -5.520126213e+00 2.84 -5.546071205e+00 -5.546071205e+00 2.86 -5.561621884e+00 -5.561621884e+00 2.88 -5.567269199e+00 -5.567269199e+00 2.90 -5.563484071e+00 -5.563484071e+00 2.92 -5.550718578e+00 -5.550718578e+00 2.94 -5.529371924e+00 -5.529371924e+00 2.96 -5.499716004e+00 -5.499716004e+00 2.98 -5.462000722e+00 -5.462000722e+00 3.00 -5.416474354e+00 -5.416474354e+00 3.02 -5.363375743e+00 -5.363375743e+00 3.04 -5.302928080e+00 -5.302928080e+00 3.06 -5.235336170e+00 -5.235336170e+00 3.08 -5.160785542e+00 -5.160785542e+00 3.10 -5.079447094e+00 -5.079447094e+00 3.12 -4.991484432e+00 -4.991484432e+00 3.14 -4.897065978e+00 -4.897065978e+00 3.16 -4.796377614e+00 -4.796377614e+00 3.18 -4.689639758e+00 -4.689639758e+00 3.20 -4.577124027e+00 -4.577124027e+00 3.22 -4.459169676e+00 -4.459169676e+00 3.24 -4.336197849e+00 -4.336197849e+00 3.26 -4.208721743e+00 -4.208721743e+00 3.28 -4.077350794e+00 -4.077350794e+00 3.30 -3.942787337e+00 -3.942787337e+00 3.32 -3.805814964e+00 -3.805814964e+00 3.34 -3.667278892e+00 -3.667278892e+00 3.36 -3.528059744e+00 -3.528059744e+00 3.38 -3.389043113e+00 -3.389043113e+00 3.40 -3.251087647e+00 -3.251087647e+00 3.42 -3.114994653e+00 -3.114994653e+00 3.44 -2.981481029e+00 -2.981481029e+00 3.46 -2.851157978e+00 -2.851157978e+00 3.48 -2.724516012e+00 -2.724516012e+00 3.50 -2.601916978e+00 -2.601916978e+00 3.52 -2.483593063e+00 -2.483593063e+00 3.54 -2.369669660e+00 -2.369669660e+00 3.56 -2.260142972e+00 -2.260142972e+00 3.58 -2.154880306e+00 -2.154880306e+00 3.60 -2.053674575e+00 -2.053674575e+00 3.62 -1.956265995e+00 -1.956265995e+00 3.64 -1.862364842e+00 -1.862364842e+00 3.66 -1.771662500e+00 -1.771662500e+00 3.68 -1.683774582e+00 -1.683774582e+00 3.70 -1.598310581e+00 -1.598310581e+00 3.72 -1.514936577e+00 -1.514936577e+00 3.74 -1.433390860e+00 -1.433390860e+00 3.76 -1.353495573e+00 -1.353495573e+00 3.78 -1.275163677e+00 -1.275163677e+00 3.80 -1.198400418e+00 -1.198400418e+00 3.82 -1.123298807e+00 -1.123298807e+00 3.84 -1.050029030e+00 -1.050029030e+00 3.86 -9.788223735e-01 -9.788223735e-01 3.88 -9.099508517e-01 -9.099508517e-01 3.90 -8.437043371e-01 -8.437043371e-01 3.92 -7.803672097e-01 -7.803672097e-01 3.94 -7.201974809e-01 -7.201974809e-01 3.96 -6.634082881e-01 -6.634082881e-01 3.98 -6.101558251e-01 -6.101558251e-01 4.00 -5.605321488e-01 -5.605321488e-01 4.02 -5.145636163e-01 -5.145636163e-01 4.04 -4.722140656e-01 -4.722140656e-01 4.06 -4.333916250e-01 -4.333916250e-01 4.08 -3.979578860e-01 -3.979578860e-01 4.10 -3.657378325e-01 -3.657378325e-01 4.12 -3.365319108e-01 -3.365319108e-01 4.14 -3.101232002e-01 -3.101232002e-01 4.16 -2.862878383e-01 -2.862878383e-01 4.18 -2.648016783e-01 -2.648016783e-01 4.20 -2.454459225e-01 -2.454459225e-01 4.22 -2.280113043e-01 -2.280113043e-01 4.24 -2.123009733e-01 -2.123009733e-01 4.26 -1.981322790e-01 -1.981322790e-01 4.28 -1.853376635e-01 -1.853376635e-01 4.30 -1.737648644e-01 -1.737648644e-01 4.32 -1.632766070e-01 -1.632766070e-01 4.34 -1.537499419e-01 -1.537499419e-01 4.36 -1.450753565e-01 -1.450753565e-01 4.38 -1.371557207e-01 -1.371557207e-01 4.40 -1.299052151e-01 -1.299052151e-01 4.42 -1.232482424e-01 -1.232482424e-01 4.44 -1.171181886e-01 -1.171181886e-01 4.46 -1.114559014e-01 -1.114559014e-01 4.48 -1.062109411e-01 -1.062109411e-01 4.50 -1.013390725e-01 -1.013390725e-01 4.52 -9.680134587e-02 -9.680134587e-02 4.54 -9.256353742e-02 -9.256353742e-02 4.56 -8.859560917e-02 -8.859560917e-02 4.58 -8.487120539e-02 -8.487120539e-02 4.60 -8.136719463e-02 -8.136719463e-02 4.62 -7.806325723e-02 -7.806325723e-02 4.64 -7.494152212e-02 -7.494152212e-02 4.66 -7.198624678e-02 -7.198624678e-02 4.68 -6.918353683e-02 -6.918353683e-02 4.70 -6.652110191e-02 -6.652110191e-02 4.72 -6.398804401e-02 -6.398804401e-02 4.74 -6.157467259e-02 -6.157467259e-02 4.76 -5.927234591e-02 -5.927234591e-02 4.78 -5.707333365e-02 -5.707333365e-02 4.80 -5.497049212e-02 -5.497049212e-02 4.82 -5.295802214e-02 -5.295802214e-02 4.84 -5.103002774e-02 -5.103002774e-02 4.86 -4.918138494e-02 -4.918138494e-02 4.88 -4.740739948e-02 -4.740739948e-02 4.90 -4.570381017e-02 -4.570381017e-02 4.92 -4.406671560e-02 -4.406671560e-02 4.94 -4.249252053e-02 -4.249252053e-02 4.96 -4.097789905e-02 -4.097789905e-02 4.98 -3.951976359e-02 -3.951976359e-02 5.00 -3.811523697e-02 -3.811523697e-02 5.02 -3.676162866e-02 -3.676162866e-02 5.04 -3.545641452e-02 -3.545641452e-02 5.06 -3.419721967e-02 -3.419721967e-02 5.08 -3.298180421e-02 -3.298180421e-02 5.10 -3.180805154e-02 -3.180805154e-02 5.12 -3.067395929e-02 -3.067395929e-02 5.14 -2.957763264e-02 -2.957763264e-02 5.16 -2.851728011e-02 -2.851728011e-02 5.18 -2.749121177e-02 -2.749121177e-02 5.20 -2.649783970e-02 -2.649783970e-02 5.22 -2.553568071e-02 -2.553568071e-02 5.24 -2.460336104e-02 -2.460336104e-02 5.26 -2.369962275e-02 -2.369962275e-02 5.28 -2.282333110e-02 -2.282333110e-02 5.30 -2.197348235e-02 -2.197348235e-02 5.32 -2.114921074e-02 -2.114921074e-02 5.34 -2.034979307e-02 -2.034979307e-02 5.36 -1.957462091e-02 -1.957462091e-02 5.38 -1.882324730e-02 -1.882324730e-02 5.40 -1.809537735e-02 -1.809537735e-02 5.42 -1.739083181e-02 -1.739083181e-02 5.44 -1.670952424e-02 -1.670952424e-02 5.46 -1.605143175e-02 -1.605143175e-02 5.48 -1.541656081e-02 -1.541656081e-02 5.50 -1.480491050e-02 -1.480491050e-02 5.52 -1.421643605e-02 -1.421643605e-02 5.54 -1.365101585e-02 -1.365101585e-02 5.56 -1.310842468e-02 -1.310842468e-02 5.58 -1.258831530e-02 -1.258831530e-02 5.60 -1.209020955e-02 -1.209020955e-02 5.62 -1.161349890e-02 -1.161349890e-02 5.64 -1.115745343e-02 -1.115745343e-02 5.66 -1.072123752e-02 -1.072123752e-02 5.68 -1.030393001e-02 -1.030393001e-02 5.70 -9.904546574e-03 -9.904546574e-03 5.72 -9.522062205e-03 -9.522062205e-03 5.74 -9.155432337e-03 -9.155432337e-03 5.76 -8.803611358e-03 -8.803611358e-03 5.78 -8.465567998e-03 -8.465567998e-03 5.80 -8.140297374e-03 -8.140297374e-03 5.82 -7.826829886e-03 -7.826829886e-03 5.84 -7.524237354e-03 -7.524237354e-03 5.86 -7.231636896e-03 -7.231636896e-03 5.88 -6.948193156e-03 -6.948193156e-03 5.90 -6.673119404e-03 -6.673119404e-03 5.92 -6.405678071e-03 -6.405678071e-03 5.94 -6.145181140e-03 -6.145181140e-03 5.96 -5.890990795e-03 -5.890990795e-03 5.98 -5.642520612e-03 -5.642520612e-03 6.00 -5.399237513e-03 -5.399237513e-03