# 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 = Al2MgPb # 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 2.070115894e+02 2.070115894e+02 1.30 1.930104299e+02 1.930104299e+02 1.32 1.799949506e+02 1.799949506e+02 1.34 1.678875894e+02 1.678875894e+02 1.36 1.566178839e+02 1.566178839e+02 1.38 1.461217628e+02 1.461217628e+02 1.40 1.363408282e+02 1.363408282e+02 1.42 1.272216373e+02 1.272216373e+02 1.44 1.187149511e+02 1.187149511e+02 1.46 1.107751912e+02 1.107751912e+02 1.48 1.033603654e+02 1.033603654e+02 1.50 9.643225171e+01 9.643225171e+01 1.52 8.995635653e+01 8.995635653e+01 1.54 8.390140609e+01 8.390140609e+01 1.56 7.823861267e+01 7.823861267e+01 1.58 7.294107904e+01 7.294107904e+01 1.60 6.798362429e+01 6.798362429e+01 1.62 6.334770370e+01 6.334770370e+01 1.64 5.901343573e+01 5.901343573e+01 1.66 5.496226510e+01 5.496226510e+01 1.68 5.117631521e+01 5.117631521e+01 1.70 4.763747230e+01 4.763747230e+01 1.72 4.432888948e+01 4.432888948e+01 1.74 4.123480819e+01 4.123480819e+01 1.76 3.834044289e+01 3.834044289e+01 1.78 3.563195775e+01 3.563195775e+01 1.80 3.309652898e+01 3.309652898e+01 1.82 3.072242868e+01 3.072242868e+01 1.84 2.849903457e+01 2.849903457e+01 1.86 2.641672534e+01 2.641672534e+01 1.88 2.446670103e+01 2.446670103e+01 1.90 2.264078112e+01 2.264078112e+01 1.92 2.093124028e+01 2.093124028e+01 1.94 1.933070714e+01 1.933070714e+01 1.96 1.783213671e+01 1.783213671e+01 1.98 1.642884575e+01 1.642884575e+01 2.00 1.511457339e+01 1.511457339e+01 2.02 1.388353124e+01 1.388353124e+01 2.04 1.273041704e+01 1.273041704e+01 2.06 1.165038477e+01 1.165038477e+01 2.08 1.063897874e+01 1.063897874e+01 2.10 9.692057881e+00 9.692057881e+00 2.12 8.805727968e+00 8.805727968e+00 2.14 7.976297543e+00 7.976297543e+00 2.16 7.200260070e+00 7.200260070e+00 2.18 6.474295409e+00 6.474295409e+00 2.20 5.795281210e+00 5.795281210e+00 2.22 5.160305322e+00 5.160305322e+00 2.24 4.566671496e+00 4.566671496e+00 2.26 4.011896019e+00 4.011896019e+00 2.28 3.493692145e+00 3.493692145e+00 2.30 3.009956340e+00 3.009956340e+00 2.32 2.558742379e+00 2.558742379e+00 2.34 2.138246269e+00 2.138246269e+00 2.36 1.746786794e+00 1.746786794e+00 2.38 1.382791736e+00 1.382791736e+00 2.40 1.044784113e+00 1.044784113e+00 2.42 7.313668955e-01 7.313668955e-01 2.44 4.412063659e-01 4.412063659e-01 2.46 1.730141730e-01 1.730141730e-01 2.48 -7.446831819e-02 -7.446831819e-02 2.50 -3.024814613e-01 -3.024814613e-01 2.52 -5.122540044e-01 -5.122540044e-01 2.54 -7.050064849e-01 -7.050064849e-01 2.56 -8.819529290e-01 -8.819529290e-01 2.58 -1.044300010e+00 -1.044300010e+00 2.60 -1.193239688e+00 -1.193239688e+00 2.62 -1.329930491e+00 -1.329930491e+00 2.64 -1.455470131e+00 -1.455470131e+00 2.66 -1.570858171e+00 -1.570858171e+00 2.68 -1.676970042e+00 -1.676970042e+00 2.70 -1.774669433e+00 -1.774669433e+00 2.72 -1.865602225e+00 -1.865602225e+00 2.74 -1.950119510e+00 -1.950119510e+00 2.76 -2.028230887e+00 -2.028230887e+00 2.78 -2.099952178e+00 -2.099952178e+00 2.80 -2.165315460e+00 -2.165315460e+00 2.82 -2.224372076e+00 -2.224372076e+00 2.84 -2.277195418e+00 -2.277195418e+00 2.86 -2.323879436e+00 -2.323879436e+00 2.88 -2.364537068e+00 -2.364537068e+00 2.90 -2.399309957e+00 -2.399309957e+00 2.92 -2.428373529e+00 -2.428373529e+00 2.94 -2.451921148e+00 -2.451921148e+00 2.96 -2.470168690e+00 -2.470168690e+00 2.98 -2.483362209e+00 -2.483362209e+00 3.00 -2.491785644e+00 -2.491785644e+00 3.02 -2.495766189e+00 -2.495766189e+00 3.04 -2.495674096e+00 -2.495674096e+00 3.06 -2.491918473e+00 -2.491918473e+00 3.08 -2.484929434e+00 -2.484929434e+00 3.10 -2.475141380e+00 -2.475141380e+00 3.12 -2.462970254e+00 -2.462970254e+00 3.14 -2.448797670e+00 -2.448797670e+00 3.16 -2.432953304e+00 -2.432953304e+00 3.18 -2.415712639e+00 -2.415712639e+00 3.20 -2.397316345e+00 -2.397316345e+00 3.22 -2.377935661e+00 -2.377935661e+00 3.24 -2.357684223e+00 -2.357684223e+00 3.26 -2.336646043e+00 -2.336646043e+00 3.28 -2.314882764e+00 -2.314882764e+00 3.30 -2.292439871e+00 -2.292439871e+00 3.32 -2.269351746e+00 -2.269351746e+00 3.34 -2.245645665e+00 -2.245645665e+00 3.36 -2.221344952e+00 -2.221344952e+00 3.38 -2.196471473e+00 -2.196471473e+00 3.40 -2.171055845e+00 -2.171055845e+00 3.42 -2.145123214e+00 -2.145123214e+00 3.44 -2.118687775e+00 -2.118687775e+00 3.46 -2.091770422e+00 -2.091770422e+00 3.48 -2.064398576e+00 -2.064398576e+00 3.50 -2.036605674e+00 -2.036605674e+00 3.52 -2.008430301e+00 -2.008430301e+00 3.54 -1.979915095e+00 -1.979915095e+00 3.56 -1.951105565e+00 -1.951105565e+00 3.58 -1.922048946e+00 -1.922048946e+00 3.60 -1.892793153e+00 -1.892793153e+00 3.62 -1.863383171e+00 -1.863383171e+00 3.64 -1.833853313e+00 -1.833853313e+00 3.66 -1.804236167e+00 -1.804236167e+00 3.68 -1.774564866e+00 -1.774564866e+00 3.70 -1.744872351e+00 -1.744872351e+00 3.72 -1.715190665e+00 -1.715190665e+00 3.74 -1.685550203e+00 -1.685550203e+00 3.76 -1.655978931e+00 -1.655978931e+00 3.78 -1.626501626e+00 -1.626501626e+00 3.80 -1.597139206e+00 -1.597139206e+00 3.82 -1.567908255e+00 -1.567908255e+00 3.84 -1.538820779e+00 -1.538820779e+00 3.86 -1.509884228e+00 -1.509884228e+00 3.88 -1.481101750e+00 -1.481101750e+00 3.90 -1.452472622e+00 -1.452472622e+00 3.92 -1.423992480e+00 -1.423992480e+00 3.94 -1.395655253e+00 -1.395655253e+00 3.96 -1.367451626e+00 -1.367451626e+00 3.98 -1.339371096e+00 -1.339371096e+00 4.00 -1.311402094e+00 -1.311402094e+00 4.02 -1.283532484e+00 -1.283532484e+00 4.04 -1.255750075e+00 -1.255750075e+00 4.06 -1.228043171e+00 -1.228043171e+00 4.08 -1.200401243e+00 -1.200401243e+00 4.10 -1.172814394e+00 -1.172814394e+00 4.12 -1.145279944e+00 -1.145279944e+00 4.14 -1.117794816e+00 -1.117794816e+00 4.16 -1.090363045e+00 -1.090363045e+00 4.18 -1.062995535e+00 -1.062995535e+00 4.20 -1.035711385e+00 -1.035711385e+00 4.22 -1.008538945e+00 -1.008538945e+00 4.24 -9.815164024e-01 -9.815164024e-01 4.26 -9.546916779e-01 -9.546916779e-01 4.28 -9.281214647e-01 -9.281214647e-01 4.30 -9.018693385e-01 -9.018693385e-01 4.32 -8.760029888e-01 -8.760029888e-01 4.34 -8.505907687e-01 -8.505907687e-01 4.36 -8.256978884e-01 -8.256978884e-01 4.38 -8.013826534e-01 -8.013826534e-01 4.40 -7.776931594e-01 -7.776931594e-01 4.42 -7.546647840e-01 -7.546647840e-01 4.44 -7.323186875e-01 -7.323186875e-01 4.46 -7.106613814e-01 -7.106613814e-01 4.48 -6.896852728e-01 -6.896852728e-01 4.50 -6.693699869e-01 -6.693699869e-01 4.52 -6.496842115e-01 -6.496842115e-01 4.54 -6.305878024e-01 -6.305878024e-01 4.56 -6.120339275e-01 -6.120339275e-01 4.58 -5.939710840e-01 -5.939710840e-01 4.60 -5.763448907e-01 -5.763448907e-01 4.62 -5.590996190e-01 -5.590996190e-01 4.64 -5.421794713e-01 -5.421794713e-01 4.66 -5.255296520e-01 -5.255296520e-01 4.68 -5.090972918e-01 -5.090972918e-01 4.70 -4.928322922e-01 -4.928322922e-01 4.72 -4.766881559e-01 -4.766881559e-01 4.74 -4.606228519e-01 -4.606228519e-01 4.76 -4.445997534e-01 -4.445997534e-01 4.78 -4.285886586e-01 -4.285886586e-01 4.80 -4.125660077e-01 -4.125660077e-01 4.82 -3.965196398e-01 -3.965196398e-01 4.84 -3.804441831e-01 -3.804441831e-01 4.86 -3.643459471e-01 -3.643459471e-01 4.88 -3.482425482e-01 -3.482425482e-01 4.90 -3.321631784e-01 -3.321631784e-01 4.92 -3.161483530e-01 -3.161483530e-01 4.94 -3.002490415e-01 -3.002490415e-01 4.96 -2.845251360e-01 -2.845251360e-01 4.98 -2.690432781e-01 -2.690432781e-01 5.00 -2.538741458e-01 -2.538741458e-01 5.02 -2.390893727e-01 -2.390893727e-01 5.04 -2.247583345e-01 -2.247583345e-01 5.06 -2.109450640e-01 -2.109450640e-01 5.08 -1.977055482e-01 -1.977055482e-01 5.10 -1.850856165e-01 -1.850856165e-01 5.12 -1.731195593e-01 -1.731195593e-01 5.14 -1.618295258e-01 -1.618295258e-01 5.16 -1.512256672e-01 -1.512256672e-01 5.18 -1.413069183e-01 -1.413069183e-01 5.20 -1.320622666e-01 -1.320622666e-01 5.22 -1.234723327e-01 -1.234723327e-01 5.24 -1.155110967e-01 -1.155110967e-01 5.26 -1.081476141e-01 -1.081476141e-01 5.28 -1.013476263e-01 -1.013476263e-01 5.30 -9.507497841e-02 -9.507497841e-02 5.32 -8.929280456e-02 -8.929280456e-02 5.34 -8.396447047e-02 -8.396447047e-02 5.36 -7.905427948e-02 -7.905427948e-02 5.38 -7.452797768e-02 -7.452797768e-02 5.40 -7.035309635e-02 -7.035309635e-02 5.42 -6.649867722e-02 -6.649867722e-02 5.44 -6.293630168e-02 -6.293630168e-02 5.46 -5.963922269e-02 -5.963922269e-02 5.48 -5.658371823e-02 -5.658371823e-02 5.50 -5.374799516e-02 -5.374799516e-02 5.52 -5.111181694e-02 -5.111181694e-02 5.54 -4.865649064e-02 -4.865649064e-02 5.56 -4.636481425e-02 -4.636481425e-02 5.58 -4.422099924e-02 -4.422099924e-02 5.60 -4.221058248e-02 -4.221058248e-02 5.62 -4.032033601e-02 -4.032033601e-02 5.64 -3.853817936e-02 -3.853817936e-02 5.66 -3.685309740e-02 -3.685309740e-02 5.68 -3.525506486e-02 -3.525506486e-02 5.70 -3.373497780e-02 -3.373497780e-02 5.72 -3.228459163e-02 -3.228459163e-02 5.74 -3.089646551e-02 -3.089646551e-02 5.76 -2.956391274e-02 -2.956391274e-02 5.78 -2.828095640e-02 -2.828095640e-02 5.80 -2.704228900e-02 -2.704228900e-02 5.82 -2.584323932e-02 -2.584323932e-02 5.84 -2.467974273e-02 -2.467974273e-02 5.86 -2.354831541e-02 -2.354831541e-02 5.88 -2.244603153e-02 -2.244603153e-02 5.90 -2.137050253e-02 -2.137050253e-02 5.92 -2.031985688e-02 -2.031985688e-02 5.94 -1.929271902e-02 -1.929271902e-02 5.96 -1.828818574e-02 -1.828818574e-02 5.98 -1.730579840e-02 -1.730579840e-02 6.00 -1.634550957e-02 -1.634550957e-02