# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2NiPd # 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 2022-05-24 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 3.713361283e+02 3.713361283e+02 0.98 3.408880419e+02 3.408880419e+02 1.00 3.132585561e+02 3.132585561e+02 1.02 2.881296835e+02 2.881296835e+02 1.04 2.652329787e+02 2.652329787e+02 1.06 2.443255669e+02 2.443255669e+02 1.08 2.252065985e+02 2.252065985e+02 1.10 2.076946046e+02 2.076946046e+02 1.12 1.916305645e+02 1.916305645e+02 1.14 1.768699608e+02 1.768699608e+02 1.16 1.632944475e+02 1.632944475e+02 1.18 1.507963458e+02 1.507963458e+02 1.20 1.392792120e+02 1.392792120e+02 1.22 1.286518916e+02 1.286518916e+02 1.24 1.188450030e+02 1.188450030e+02 1.26 1.097879099e+02 1.097879099e+02 1.28 1.014177949e+02 1.014177949e+02 1.30 9.367586691e+01 9.367586691e+01 1.32 8.651093997e+01 8.651093997e+01 1.34 7.987932117e+01 7.987932117e+01 1.36 7.373992064e+01 7.373992064e+01 1.38 6.805279429e+01 6.805279429e+01 1.40 6.278477000e+01 6.278477000e+01 1.42 5.790221161e+01 5.790221161e+01 1.44 5.337588702e+01 5.337588702e+01 1.46 4.917826988e+01 4.917826988e+01 1.48 4.528657376e+01 4.528657376e+01 1.50 4.167981170e+01 4.167981170e+01 1.52 3.833697479e+01 3.833697479e+01 1.54 3.523752046e+01 3.523752046e+01 1.56 3.236435874e+01 3.236435874e+01 1.58 2.970145444e+01 2.970145444e+01 1.60 2.723430904e+01 2.723430904e+01 1.62 2.494771711e+01 2.494771711e+01 1.64 2.282984037e+01 2.282984037e+01 1.66 2.086756622e+01 2.086756622e+01 1.68 1.904988910e+01 1.904988910e+01 1.70 1.736735496e+01 1.736735496e+01 1.72 1.578532505e+01 1.578532505e+01 1.74 1.432852623e+01 1.432852623e+01 1.76 1.297080031e+01 1.297080031e+01 1.78 1.170621923e+01 1.170621923e+01 1.80 1.049507297e+01 1.049507297e+01 1.82 9.380722890e+00 9.380722890e+00 1.84 8.331567068e+00 8.331567068e+00 1.86 7.344780658e+00 7.344780658e+00 1.88 6.417675071e+00 6.417675071e+00 1.90 5.547631544e+00 5.547631544e+00 1.92 4.731630316e+00 4.731630316e+00 1.94 3.966372165e+00 3.966372165e+00 1.96 3.251568542e+00 3.251568542e+00 1.98 2.584231720e+00 2.584231720e+00 2.00 1.962704624e+00 1.962704624e+00 2.02 1.385545695e+00 1.385545695e+00 2.04 8.501388151e-01 8.501388151e-01 2.06 3.542960300e-01 3.542960300e-01 2.08 -1.040410322e-01 -1.040410322e-01 2.10 -5.266288856e-01 -5.266288856e-01 2.12 -9.154110457e-01 -9.154110457e-01 2.14 -1.272026216e+00 -1.272026216e+00 2.16 -1.598428763e+00 -1.598428763e+00 2.18 -1.896043162e+00 -1.896043162e+00 2.20 -2.166266331e+00 -2.166266331e+00 2.22 -2.409610209e+00 -2.409610209e+00 2.24 -2.629032869e+00 -2.629032869e+00 2.26 -2.825960149e+00 -2.825960149e+00 2.28 -3.001703663e+00 -3.001703663e+00 2.30 -3.157501572e+00 -3.157501572e+00 2.32 -3.294628319e+00 -3.294628319e+00 2.34 -3.414325128e+00 -3.414325128e+00 2.36 -3.517834812e+00 -3.517834812e+00 2.38 -3.606251774e+00 -3.606251774e+00 2.40 -3.680621488e+00 -3.680621488e+00 2.42 -3.742080182e+00 -3.742080182e+00 2.44 -3.790894969e+00 -3.790894969e+00 2.46 -3.828358392e+00 -3.828358392e+00 2.48 -3.855598864e+00 -3.855598864e+00 2.50 -3.873626054e+00 -3.873626054e+00 2.52 -3.883139437e+00 -3.883139437e+00 2.54 -3.884677855e+00 -3.884677855e+00 2.56 -3.878759162e+00 -3.878759162e+00 2.58 -3.865940500e+00 -3.865940500e+00 2.60 -3.848044077e+00 -3.848044077e+00 2.62 -3.824835822e+00 -3.824835822e+00 2.64 -3.796425486e+00 -3.796425486e+00 2.66 -3.763367122e+00 -3.763367122e+00 2.68 -3.726115937e+00 -3.726115937e+00 2.70 -3.685043693e+00 -3.685043693e+00 2.72 -3.640247818e+00 -3.640247818e+00 2.74 -3.592273580e+00 -3.592273580e+00 2.76 -3.541634424e+00 -3.541634424e+00 2.78 -3.488097952e+00 -3.488097952e+00 2.80 -3.431821982e+00 -3.431821982e+00 2.82 -3.373869491e+00 -3.373869491e+00 2.84 -3.314472439e+00 -3.314472439e+00 2.86 -3.253865841e+00 -3.253865841e+00 2.88 -3.192266766e+00 -3.192266766e+00 2.90 -3.129875358e+00 -3.129875358e+00 2.92 -3.066875872e+00 -3.066875872e+00 2.94 -3.003458740e+00 -3.003458740e+00 2.96 -2.939876977e+00 -2.939876977e+00 2.98 -2.875570398e+00 -2.875570398e+00 3.00 -2.811273069e+00 -2.811273069e+00 3.02 -2.747116836e+00 -2.747116836e+00 3.04 -2.683585374e+00 -2.683585374e+00 3.06 -2.620893650e+00 -2.620893650e+00 3.08 -2.558585316e+00 -2.558585316e+00 3.10 -2.496748410e+00 -2.496748410e+00 3.12 -2.435455921e+00 -2.435455921e+00 3.14 -2.374773282e+00 -2.374773282e+00 3.16 -2.314758935e+00 -2.314758935e+00 3.18 -2.255464828e+00 -2.255464828e+00 3.20 -2.196936887e+00 -2.196936887e+00 3.22 -2.139215514e+00 -2.139215514e+00 3.24 -2.082333571e+00 -2.082333571e+00 3.26 -2.026620065e+00 -2.026620065e+00 3.28 -1.971894774e+00 -1.971894774e+00 3.30 -1.918066483e+00 -1.918066483e+00 3.32 -1.865176876e+00 -1.865176876e+00 3.34 -1.813199232e+00 -1.813199232e+00 3.36 -1.762093883e+00 -1.762093883e+00 3.38 -1.711784798e+00 -1.711784798e+00 3.40 -1.662224143e+00 -1.662224143e+00 3.42 -1.613519788e+00 -1.613519788e+00 3.44 -1.565719469e+00 -1.565719469e+00 3.46 -1.518838205e+00 -1.518838205e+00 3.48 -1.472949390e+00 -1.472949390e+00 3.50 -1.428070498e+00 -1.428070498e+00 3.52 -1.384177422e+00 -1.384177422e+00 3.54 -1.341260600e+00 -1.341260600e+00 3.56 -1.299313017e+00 -1.299313017e+00 3.58 -1.258294953e+00 -1.258294953e+00 3.60 -1.218163394e+00 -1.218163394e+00 3.62 -1.178895349e+00 -1.178895349e+00 3.64 -1.140521081e+00 -1.140521081e+00 3.66 -1.103067383e+00 -1.103067383e+00 3.68 -1.066540220e+00 -1.066540220e+00 3.70 -1.030923530e+00 -1.030923530e+00 3.72 -9.962023643e-01 -9.962023643e-01 3.74 -9.623578551e-01 -9.623578551e-01 3.76 -9.293636856e-01 -9.293636856e-01 3.78 -8.972031595e-01 -8.972031595e-01 3.80 -8.658717380e-01 -8.658717380e-01 3.82 -8.353513745e-01 -8.353513745e-01 3.84 -8.056349746e-01 -8.056349746e-01 3.86 -7.766731030e-01 -7.766731030e-01 3.88 -7.484136385e-01 -7.484136385e-01 3.90 -7.208822277e-01 -7.208822277e-01 3.92 -6.940756664e-01 -6.940756664e-01 3.94 -6.679771282e-01 -6.679771282e-01 3.96 -6.426492986e-01 -6.426492986e-01 3.98 -6.181387026e-01 -6.181387026e-01 4.00 -5.945179256e-01 -5.945179256e-01 4.02 -5.718247334e-01 -5.718247334e-01 4.04 -5.499610478e-01 -5.499610478e-01 4.06 -5.288233981e-01 -5.288233981e-01 4.08 -5.083610655e-01 -5.083610655e-01 4.10 -4.883858277e-01 -4.883858277e-01 4.12 -4.687436235e-01 -4.687436235e-01 4.14 -4.493272173e-01 -4.493272173e-01 4.16 -4.301167633e-01 -4.301167633e-01 4.18 -4.113384282e-01 -4.113384282e-01 4.20 -3.926367819e-01 -3.926367819e-01 4.22 -3.739928374e-01 -3.739928374e-01 4.24 -3.553784981e-01 -3.553784981e-01 4.26 -3.368556962e-01 -3.368556962e-01 4.28 -3.184405987e-01 -3.184405987e-01 4.30 -3.011795634e-01 -3.011795634e-01 4.32 -2.845940527e-01 -2.845940527e-01 4.34 -2.683470841e-01 -2.683470841e-01 4.36 -2.525213682e-01 -2.525213682e-01 4.38 -2.371713073e-01 -2.371713073e-01 4.40 -2.223362866e-01 -2.223362866e-01 4.42 -2.080432907e-01 -2.080432907e-01 4.44 -1.943091038e-01 -1.943091038e-01 4.46 -1.811421735e-01 -1.811421735e-01 4.48 -1.685441846e-01 -1.685441846e-01 4.50 -1.565113875e-01 -1.565113875e-01 4.52 -1.450357144e-01 -1.450357144e-01 4.54 -1.341057150e-01 -1.341057150e-01 4.56 -1.237073384e-01 -1.237073384e-01 4.58 -1.138258203e-01 -1.138258203e-01 4.60 -1.047007113e-01 -1.047007113e-01 4.62 -9.628882282e-02 -9.628882282e-02 4.64 -8.830523232e-02 -8.830523232e-02 4.66 -8.073188545e-02 -8.073188545e-02 4.68 -7.355081094e-02 -7.355081094e-02 4.70 -6.674426096e-02 -6.674426096e-02 4.72 -6.029482217e-02 -6.029482217e-02 4.74 -5.418550225e-02 -5.418550225e-02 4.76 -4.839979405e-02 -4.839979405e-02 4.78 -4.292507335e-02 -4.292507335e-02 4.80 -3.776350156e-02 -3.776350156e-02 4.82 -3.341119495e-02 -3.341119495e-02 4.84 -2.931109818e-02 -2.931109818e-02 4.86 -2.542894455e-02 -2.542894455e-02 4.88 -2.175206075e-02 -2.175206075e-02 4.90 -1.826989840e-02 -1.826989840e-02 4.92 -1.497172967e-02 -1.497172967e-02 4.94 -1.178699773e-02 -1.178699773e-02 4.96 -9.854206989e-03 -9.854206989e-03 4.98 -9.036112319e-03 -9.036112319e-03 5.00 -8.216337326e-03 -8.216337326e-03 5.02 -7.438908321e-03 -7.438908321e-03 5.04 -6.701987542e-03 -6.701987542e-03 5.06 -6.003528076e-03 -6.003528076e-03 5.08 -5.341582415e-03 -5.341582415e-03 5.10 -4.714298016e-03 -4.714298016e-03 5.12 -4.119912991e-03 -4.119912991e-03 5.14 -3.556751959e-03 -3.556751959e-03 5.16 -3.023222042e-03 -3.023222042e-03 5.18 -2.517809024e-03 -2.517809024e-03 5.20 -2.039073649e-03 -2.039073649e-03 5.22 -1.585648073e-03 -1.585648073e-03 5.24 -1.156232462e-03 -1.156232462e-03 5.26 -7.495917452e-04 -7.495917452e-04 5.28 -3.647888151e-04 -3.647888151e-04 5.30 -5.723989887e-16 -5.717945408e-16 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00