# 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 = Al2TiZr # 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 1.855227840e+02 1.855227840e+02 1.30 1.727069105e+02 1.727069105e+02 1.32 1.608034666e+02 1.608034666e+02 1.34 1.497414504e+02 1.497414504e+02 1.36 1.394548857e+02 1.394548857e+02 1.38 1.298840214e+02 1.298840214e+02 1.40 1.209752355e+02 1.209752355e+02 1.42 1.126794837e+02 1.126794837e+02 1.44 1.049505299e+02 1.049505299e+02 1.46 9.774414060e+01 9.774414060e+01 1.48 9.101871839e+01 9.101871839e+01 1.50 8.473678469e+01 8.473678469e+01 1.52 7.886596661e+01 7.886596661e+01 1.54 7.337856874e+01 7.337856874e+01 1.56 6.825024756e+01 6.825024756e+01 1.58 6.345865313e+01 6.345865313e+01 1.60 5.898248969e+01 5.898248969e+01 1.62 5.480098783e+01 5.480098783e+01 1.64 5.089374959e+01 5.089374959e+01 1.66 4.724084371e+01 4.724084371e+01 1.68 4.382315146e+01 4.382315146e+01 1.70 4.062291314e+01 4.062291314e+01 1.72 3.762414359e+01 3.762414359e+01 1.74 3.481268905e+01 3.481268905e+01 1.76 3.217593099e+01 3.217593099e+01 1.78 2.970241855e+01 2.970241855e+01 1.80 2.738198585e+01 2.738198585e+01 1.82 2.520508118e+01 2.520508118e+01 1.84 2.316274899e+01 2.316274899e+01 1.86 2.124659743e+01 2.124659743e+01 1.88 1.944890787e+01 1.944890787e+01 1.90 1.776472489e+01 1.776472489e+01 1.92 1.618837421e+01 1.618837421e+01 1.94 1.471316793e+01 1.471316793e+01 1.96 1.333266487e+01 1.333266487e+01 1.98 1.204070048e+01 1.204070048e+01 2.00 1.083149533e+01 1.083149533e+01 2.02 9.699765176e+00 9.699765176e+00 2.04 8.640768587e+00 8.640768587e+00 2.06 7.650258385e+00 7.650258385e+00 2.08 6.724355924e+00 6.724355924e+00 2.10 5.859420367e+00 5.859420367e+00 2.12 5.051945895e+00 5.051945895e+00 2.14 4.298516306e+00 4.298516306e+00 2.16 3.595808017e+00 3.595808017e+00 2.18 2.940610849e+00 2.940610849e+00 2.20 2.329860899e+00 2.329860899e+00 2.22 1.760654223e+00 1.760654223e+00 2.24 1.230261633e+00 1.230261633e+00 2.26 7.361463961e-01 7.361463961e-01 2.28 2.759765508e-01 2.759765508e-01 2.30 -1.523441178e-01 -1.523441178e-01 2.32 -5.506880359e-01 -5.506880359e-01 2.34 -9.207093180e-01 -9.207093180e-01 2.36 -1.263881975e+00 -1.263881975e+00 2.38 -1.581539351e+00 -1.581539351e+00 2.40 -1.874917709e+00 -1.874917709e+00 2.42 -2.145201574e+00 -2.145201574e+00 2.44 -2.393554682e+00 -2.393554682e+00 2.46 -2.621147695e+00 -2.621147695e+00 2.48 -2.829168282e+00 -2.829168282e+00 2.50 -3.018821196e+00 -3.018821196e+00 2.52 -3.191322731e+00 -3.191322731e+00 2.54 -3.347894694e+00 -3.347894694e+00 2.56 -3.489759530e+00 -3.489759530e+00 2.58 -3.618140314e+00 -3.618140314e+00 2.60 -3.734297706e+00 -3.734297706e+00 2.62 -3.839337665e+00 -3.839337665e+00 2.64 -3.934274992e+00 -3.934274992e+00 2.66 -4.020023868e+00 -4.020023868e+00 2.68 -4.097374336e+00 -4.097374336e+00 2.70 -4.166979394e+00 -4.166979394e+00 2.72 -4.229363008e+00 -4.229363008e+00 2.74 -4.284940082e+00 -4.284940082e+00 2.76 -4.333977767e+00 -4.333977767e+00 2.78 -4.376664149e+00 -4.376664149e+00 2.80 -4.413132268e+00 -4.413132268e+00 2.82 -4.443504816e+00 -4.443504816e+00 2.84 -4.467927621e+00 -4.467927621e+00 2.86 -4.486566018e+00 -4.486566018e+00 2.88 -4.499603814e+00 -4.499603814e+00 2.90 -4.507242907e+00 -4.507242907e+00 2.92 -4.509703504e+00 -4.509703504e+00 2.94 -4.507224985e+00 -4.507224985e+00 2.96 -4.500061999e+00 -4.500061999e+00 2.98 -4.488447367e+00 -4.488447367e+00 3.00 -4.472625503e+00 -4.472625503e+00 3.02 -4.452877719e+00 -4.452877719e+00 3.04 -4.430029587e+00 -4.430029587e+00 3.06 -4.405260565e+00 -4.405260565e+00 3.08 -4.378468376e+00 -4.378468376e+00 3.10 -4.349573452e+00 -4.349573452e+00 3.12 -4.318544548e+00 -4.318544548e+00 3.14 -4.285391079e+00 -4.285391079e+00 3.16 -4.250143116e+00 -4.250143116e+00 3.18 -4.212849553e+00 -4.212849553e+00 3.20 -4.173570873e+00 -4.173570873e+00 3.22 -4.132380186e+00 -4.132380186e+00 3.24 -4.089374843e+00 -4.089374843e+00 3.26 -4.044661406e+00 -4.044661406e+00 3.28 -3.998350185e+00 -3.998350185e+00 3.30 -3.950556551e+00 -3.950556551e+00 3.32 -3.901400430e+00 -3.901400430e+00 3.34 -3.851004021e+00 -3.851004021e+00 3.36 -3.799488320e+00 -3.799488320e+00 3.38 -3.746969580e+00 -3.746969580e+00 3.40 -3.693555962e+00 -3.693555962e+00 3.42 -3.639350704e+00 -3.639350704e+00 3.44 -3.584447250e+00 -3.584447250e+00 3.46 -3.528936045e+00 -3.528936045e+00 3.48 -3.472906288e+00 -3.472906288e+00 3.50 -3.416448427e+00 -3.416448427e+00 3.52 -3.359655583e+00 -3.359655583e+00 3.54 -3.302623543e+00 -3.302623543e+00 3.56 -3.245449285e+00 -3.245449285e+00 3.58 -3.188228323e+00 -3.188228323e+00 3.60 -3.131051402e+00 -3.131051402e+00 3.62 -3.074001222e+00 -3.074001222e+00 3.64 -3.017149822e+00 -3.017149822e+00 3.66 -2.960557075e+00 -2.960557075e+00 3.68 -2.904270444e+00 -2.904270444e+00 3.70 -2.848325909e+00 -2.848325909e+00 3.72 -2.792749783e+00 -2.792749783e+00 3.74 -2.737561099e+00 -2.737561099e+00 3.76 -2.682774232e+00 -2.682774232e+00 3.78 -2.628401496e+00 -2.628401496e+00 3.80 -2.574455440e+00 -2.574455440e+00 3.82 -2.520950608e+00 -2.520950608e+00 3.84 -2.467904519e+00 -2.467904519e+00 3.86 -2.415337712e+00 -2.415337712e+00 3.88 -2.363272813e+00 -2.363272813e+00 3.90 -2.311732783e+00 -2.311732783e+00 3.92 -2.260737254e+00 -2.260737254e+00 3.94 -2.210306334e+00 -2.210306334e+00 3.96 -2.160449336e+00 -2.160449336e+00 3.98 -2.111170562e+00 -2.111170562e+00 4.00 -2.062467515e+00 -2.062467515e+00 4.02 -2.014331746e+00 -2.014331746e+00 4.04 -1.966750302e+00 -1.966750302e+00 4.06 -1.919707496e+00 -1.919707496e+00 4.08 -1.873186763e+00 -1.873186763e+00 4.10 -1.827168634e+00 -1.827168634e+00 4.12 -1.781648372e+00 -1.781648372e+00 4.14 -1.736612350e+00 -1.736612350e+00 4.16 -1.692057187e+00 -1.692057187e+00 4.18 -1.647986354e+00 -1.647986354e+00 4.20 -1.604411326e+00 -1.604411326e+00 4.22 -1.561352438e+00 -1.561352438e+00 4.24 -1.518839322e+00 -1.518839322e+00 4.26 -1.476910724e+00 -1.476910724e+00 4.28 -1.435613587e+00 -1.435613587e+00 4.30 -1.395001297e+00 -1.395001297e+00 4.32 -1.355131148e+00 -1.355131148e+00 4.34 -1.316061173e+00 -1.316061173e+00 4.36 -1.277846623e+00 -1.277846623e+00 4.38 -1.240536471e+00 -1.240536471e+00 4.40 -1.204170286e+00 -1.204170286e+00 4.42 -1.168775824e+00 -1.168775824e+00 4.44 -1.134367521e+00 -1.134367521e+00 4.46 -1.100945978e+00 -1.100945978e+00 4.48 -1.068498347e+00 -1.068498347e+00 4.50 -1.036999466e+00 -1.036999466e+00 4.52 -1.006413505e+00 -1.006413505e+00 4.54 -9.766958962e-01 -9.766958962e-01 4.56 -9.477953325e-01 -9.477953325e-01 4.58 -9.196556821e-01 -9.196556821e-01 4.60 -8.922177290e-01 -8.922177290e-01 4.62 -8.654206937e-01 -8.654206937e-01 4.64 -8.392035428e-01 -8.392035428e-01 4.66 -8.135061210e-01 -8.135061210e-01 4.68 -7.882701625e-01 -7.882701625e-01 4.70 -7.634402387e-01 -7.634402387e-01 4.72 -7.389646996e-01 -7.389646996e-01 4.74 -7.147966544e-01 -7.147966544e-01 4.76 -6.908950166e-01 -6.908950166e-01 4.78 -6.672256204e-01 -6.672256204e-01 4.80 -6.437593244e-01 -6.437593244e-01 4.82 -6.204859408e-01 -6.204859408e-01 4.84 -5.973953109e-01 -5.973953109e-01 4.86 -5.744921902e-01 -5.744921902e-01 4.88 -5.517931483e-01 -5.517931483e-01 4.90 -5.293267098e-01 -5.293267098e-01 4.92 -5.071329305e-01 -5.071329305e-01 4.94 -4.852623183e-01 -4.852623183e-01 4.96 -4.637740654e-01 -4.637740654e-01 4.98 -4.427336269e-01 -4.427336269e-01 5.00 -4.222097602e-01 -4.222097602e-01 5.02 -4.022712197e-01 -4.022712197e-01 5.04 -3.829833528e-01 -3.829833528e-01 5.06 -3.644048759e-01 -3.644048759e-01 5.08 -3.465850951e-01 -3.465850951e-01 5.10 -3.295617882e-01 -3.295617882e-01 5.12 -3.133598890e-01 -3.133598890e-01 5.14 -2.979910215e-01 -2.979910215e-01 5.16 -2.834538395e-01 -2.834538395e-01 5.18 -2.697350567e-01 -2.697350567e-01 5.20 -2.568109972e-01 -2.568109972e-01 5.22 -2.446494820e-01 -2.446494820e-01 5.24 -2.332118659e-01 -2.332118659e-01 5.26 -2.224550709e-01 -2.224550709e-01 5.28 -2.123334896e-01 -2.123334896e-01 5.30 -2.028006781e-01 -2.028006781e-01 5.32 -1.938107839e-01 -1.938107839e-01 5.34 -1.853196948e-01 -1.853196948e-01 5.36 -1.772859042e-01 -1.772859042e-01 5.38 -1.696710920e-01 -1.696710920e-01 5.40 -1.624402832e-01 -1.624402832e-01 5.42 -1.555625151e-01 -1.555625151e-01 5.44 -1.490104879e-01 -1.490104879e-01 5.46 -1.427602439e-01 -1.427602439e-01 5.48 -1.367908698e-01 -1.367908698e-01 5.50 -1.310841070e-01 -1.310841070e-01 5.52 -1.256239162e-01 -1.256239162e-01 5.54 -1.203960385e-01 -1.203960385e-01 5.56 -1.153875939e-01 -1.153875939e-01 5.58 -1.105867464e-01 -1.105867464e-01 5.60 -1.059824543e-01 -1.059824543e-01 5.62 -1.015642927e-01 -1.015642927e-01 5.64 -9.732223001e-02 -9.732223001e-02 5.66 -9.324709133e-02 -9.324709133e-02 5.68 -8.933035192e-02 -8.933035192e-02 5.70 -8.556413107e-02 -8.556413107e-02 5.72 -8.194127489e-02 -8.194127489e-02 5.74 -7.845540723e-02 -7.845540723e-02 5.76 -7.510093281e-02 -7.510093281e-02 5.78 -7.187298482e-02 -7.187298482e-02 5.80 -6.876731770e-02 -6.876731770e-02 5.82 -6.578015398e-02 -6.578015398e-02 5.84 -6.290800018e-02 -6.290800018e-02 5.86 -6.014745093e-02 -6.014745093e-02 5.88 -5.749500157e-02 -5.749500157e-02 5.90 -5.494688802e-02 -5.494688802e-02 5.92 -5.249896866e-02 -5.249896866e-02 5.94 -5.014665766e-02 -5.014665766e-02 5.96 -4.788491302e-02 -4.788491302e-02 5.98 -4.570827698e-02 -4.570827698e-02 6.00 -4.361096225e-02 -4.361096225e-02