# 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 = CuNiTa2 # 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 2.213518938e+02 2.213518938e+02 1.30 2.042040188e+02 2.042040188e+02 1.32 1.883578023e+02 1.883578023e+02 1.34 1.737057909e+02 1.737057909e+02 1.36 1.601535970e+02 1.601535970e+02 1.38 1.476172515e+02 1.476172515e+02 1.40 1.360208528e+02 1.360208528e+02 1.42 1.252949723e+02 1.252949723e+02 1.44 1.153751466e+02 1.153751466e+02 1.46 1.062002330e+02 1.062002330e+02 1.48 9.771112465e+01 9.771112465e+01 1.50 8.985037531e+01 8.985037531e+01 1.52 8.256287907e+01 8.256287907e+01 1.54 7.579726595e+01 7.579726595e+01 1.56 6.950735287e+01 6.950735287e+01 1.58 6.365303293e+01 6.365303293e+01 1.60 5.820035488e+01 5.820035488e+01 1.62 5.312089987e+01 5.312089987e+01 1.64 4.839069754e+01 4.839069754e+01 1.66 4.398894887e+01 4.398894887e+01 1.68 3.989683020e+01 3.989683020e+01 1.70 3.609657819e+01 3.609657819e+01 1.72 3.257092823e+01 3.257092823e+01 1.74 2.930289771e+01 2.930289771e+01 1.76 2.627585835e+01 2.627585835e+01 1.78 2.347377646e+01 2.347377646e+01 1.80 2.088535893e+01 2.088535893e+01 1.82 1.850276215e+01 1.850276215e+01 1.84 1.631204913e+01 1.631204913e+01 1.86 1.430005321e+01 1.430005321e+01 1.88 1.245429669e+01 1.245429669e+01 1.90 1.076270994e+01 1.076270994e+01 1.92 9.213507553e+00 9.213507553e+00 1.94 7.795087951e+00 7.795087951e+00 1.96 6.496037686e+00 6.496037686e+00 1.98 5.305292593e+00 5.305292593e+00 2.00 4.212392237e+00 4.212392237e+00 2.02 3.207770251e+00 3.207770251e+00 2.04 2.283007649e+00 2.283007649e+00 2.06 1.430977854e+00 1.430977854e+00 2.08 6.458413019e-01 6.458413019e-01 2.10 -7.710313814e-02 -7.710313814e-02 2.12 -7.416588268e-01 -7.416588268e-01 2.14 -1.350997346e+00 -1.350997346e+00 2.16 -1.907896761e+00 -1.907896761e+00 2.18 -2.414926169e+00 -2.414926169e+00 2.20 -2.874574008e+00 -2.874574008e+00 2.22 -3.289330358e+00 -3.289330358e+00 2.24 -3.661737225e+00 -3.661737225e+00 2.26 -3.994419998e+00 -3.994419998e+00 2.28 -4.290109194e+00 -4.290109194e+00 2.30 -4.551653480e+00 -4.551653480e+00 2.32 -4.782014465e+00 -4.782014465e+00 2.34 -4.984227990e+00 -4.984227990e+00 2.36 -5.161323199e+00 -5.161323199e+00 2.38 -5.316208653e+00 -5.316208653e+00 2.40 -5.451552668e+00 -5.451552668e+00 2.42 -5.569690263e+00 -5.569690263e+00 2.44 -5.672557524e+00 -5.672557524e+00 2.46 -5.761498616e+00 -5.761498616e+00 2.48 -5.837977454e+00 -5.837977454e+00 2.50 -5.903257508e+00 -5.903257508e+00 2.52 -5.958323991e+00 -5.958323991e+00 2.54 -6.003967618e+00 -6.003967618e+00 2.56 -6.040850942e+00 -6.040850942e+00 2.58 -6.069556394e+00 -6.069556394e+00 2.60 -6.090467218e+00 -6.090467218e+00 2.62 -6.103619893e+00 -6.103619893e+00 2.64 -6.109120277e+00 -6.109120277e+00 2.66 -6.107184086e+00 -6.107184086e+00 2.68 -6.098110077e+00 -6.098110077e+00 2.70 -6.082256824e+00 -6.082256824e+00 2.72 -6.060020151e+00 -6.060020151e+00 2.74 -6.031809852e+00 -6.031809852e+00 2.76 -5.998026473e+00 -5.998026473e+00 2.78 -5.959040844e+00 -5.959040844e+00 2.80 -5.915180093e+00 -5.915180093e+00 2.82 -5.866719737e+00 -5.866719737e+00 2.84 -5.813888539e+00 -5.813888539e+00 2.86 -5.756878210e+00 -5.756878210e+00 2.88 -5.695855806e+00 -5.695855806e+00 2.90 -5.630976035e+00 -5.630976035e+00 2.92 -5.562390954e+00 -5.562390954e+00 2.94 -5.490265828e+00 -5.490265828e+00 2.96 -5.414927814e+00 -5.414927814e+00 2.98 -5.336438908e+00 -5.336438908e+00 3.00 -5.254725242e+00 -5.254725242e+00 3.02 -5.169746811e+00 -5.169746811e+00 3.04 -5.081496542e+00 -5.081496542e+00 3.06 -4.989991861e+00 -4.989991861e+00 3.08 -4.895269531e+00 -4.895269531e+00 3.10 -4.797384045e+00 -4.797384045e+00 3.12 -4.696409456e+00 -4.696409456e+00 3.14 -4.592449842e+00 -4.592449842e+00 3.16 -4.485655931e+00 -4.485655931e+00 3.18 -4.376219972e+00 -4.376219972e+00 3.20 -4.264382407e+00 -4.264382407e+00 3.22 -4.150440814e+00 -4.150440814e+00 3.24 -4.034755614e+00 -4.034755614e+00 3.26 -3.917750759e+00 -3.917750759e+00 3.28 -3.799907968e+00 -3.799907968e+00 3.30 -3.681753800e+00 -3.681753800e+00 3.32 -3.563839917e+00 -3.563839917e+00 3.34 -3.446718038e+00 -3.446718038e+00 3.36 -3.330912127e+00 -3.330912127e+00 3.38 -3.216890991e+00 -3.216890991e+00 3.40 -3.105044491e+00 -3.105044491e+00 3.42 -2.995666031e+00 -2.995666031e+00 3.44 -2.888942958e+00 -2.888942958e+00 3.46 -2.784955309e+00 -2.784955309e+00 3.48 -2.683682211e+00 -2.683682211e+00 3.50 -2.585014451e+00 -2.585014451e+00 3.52 -2.488771311e+00 -2.488771311e+00 3.54 -2.394719762e+00 -2.394719762e+00 3.56 -2.302594339e+00 -2.302594339e+00 3.58 -2.212116455e+00 -2.212116455e+00 3.60 -2.123012322e+00 -2.123012322e+00 3.62 -2.035029037e+00 -2.035029037e+00 3.64 -1.947948653e+00 -1.947948653e+00 3.66 -1.861600184e+00 -1.861600184e+00 3.68 -1.775869525e+00 -1.775869525e+00 3.70 -1.690707160e+00 -1.690707160e+00 3.72 -1.606133433e+00 -1.606133433e+00 3.74 -1.522240965e+00 -1.522240965e+00 3.76 -1.439193768e+00 -1.439193768e+00 3.78 -1.357222571e+00 -1.357222571e+00 3.80 -1.276616066e+00 -1.276616066e+00 3.82 -1.197708061e+00 -1.197708061e+00 3.84 -1.120860990e+00 -1.120860990e+00 3.86 -1.046446722e+00 -1.046446722e+00 3.88 -9.748260589e-01 -9.748260589e-01 3.90 -9.063286877e-01 -9.063286877e-01 3.92 -8.412353551e-01 -8.412353551e-01 3.94 -7.797638846e-01 -7.797638846e-01 3.96 -7.220601349e-01 -7.220601349e-01 3.98 -6.681943709e-01 -6.681943709e-01 4.00 -6.181628283e-01 -6.181628283e-01 4.02 -5.718936838e-01 -5.718936838e-01 4.04 -5.292562651e-01 -5.292562651e-01 4.06 -4.900722008e-01 -4.900722008e-01 4.08 -4.541272810e-01 -4.541272810e-01 4.10 -4.211830175e-01 -4.211830175e-01 4.12 -3.909871893e-01 -3.909871893e-01 4.14 -3.632829448e-01 -3.632829448e-01 4.16 -3.378163032e-01 -3.378163032e-01 4.18 -3.143420787e-01 -3.143420787e-01 4.20 -2.926283904e-01 -2.926283904e-01 4.22 -2.724599788e-01 -2.724599788e-01 4.24 -2.536405758e-01 -2.536405758e-01 4.26 -2.359945479e-01 -2.359945479e-01 4.28 -2.193679945e-01 -2.193679945e-01 4.30 -2.036294170e-01 -2.036294170e-01 4.32 -1.886700133e-01 -1.886700133e-01 4.34 -1.744035839e-01 -1.744035839e-01 4.36 -1.607659869e-01 -1.607659869e-01 4.38 -1.477140452e-01 -1.477140452e-01 4.40 -1.352238161e-01 -1.352238161e-01 4.42 -1.232881634e-01 -1.232881634e-01 4.44 -1.119136114e-01 -1.119136114e-01 4.46 -1.011163237e-01 -1.011163237e-01 4.48 -9.091894191e-02 -9.091894191e-02 4.50 -8.134588267e-02 -8.134588267e-02 4.52 -7.241924554e-02 -7.241924554e-02 4.54 -6.415552406e-02 -6.415552406e-02 4.56 -5.656312789e-02 -5.656312789e-02 4.58 -4.964088264e-02 -4.964088264e-02 4.60 -4.337752300e-02 -4.337752300e-02 4.62 -3.775212939e-02 -3.775212939e-02 4.64 -3.273528862e-02 -3.273528862e-02 4.66 -2.829075347e-02 -2.829075347e-02 4.68 -2.437731426e-02 -2.437731426e-02 4.70 -2.095071853e-02 -2.095071853e-02 4.72 -1.796529571e-02 -1.796529571e-02 4.74 -1.537540721e-02 -1.537540721e-02 4.76 -1.313769548e-02 -1.313769548e-02 4.78 -1.121102682e-02 -1.121102682e-02 4.80 -9.557095188e-03 -9.557095188e-03 4.82 -8.140836139e-03 -8.140836139e-03 4.84 -6.930602679e-03 -6.930602679e-03 4.86 -5.898165665e-03 -5.898165665e-03 4.88 -5.018588760e-03 -5.018588760e-03 4.90 -4.270022334e-03 -4.270022334e-03 4.92 -3.633450250e-03 -3.633450250e-03 4.94 -3.092415074e-03 -3.092415074e-03 4.96 -2.632739924e-03 -2.632739924e-03 4.98 -2.242259282e-03 -2.242259282e-03 5.00 -1.910566500e-03 -1.910566500e-03 5.02 -1.628782328e-03 -1.628782328e-03 5.04 -1.389346403e-03 -1.389346403e-03 5.06 -1.185831923e-03 -1.185831923e-03 5.08 -1.012782686e-03 -1.012782686e-03 5.10 -8.655710104e-04 -8.655710104e-04 5.12 -7.402747056e-04 -7.402747056e-04 5.14 -6.335711225e-04 -6.335711225e-04 5.16 -5.426463259e-04 -5.426463259e-04 5.18 -4.651175064e-04 -4.651175064e-04 5.20 -3.989668973e-04 -3.989668973e-04 5.22 -3.424856200e-04 -3.424856200e-04 5.24 -2.942260550e-04 -2.942260550e-04 5.26 -2.529615032e-04 -2.529615032e-04 5.28 -2.176520576e-04 -2.176520576e-04 5.30 -1.874157549e-04 -1.874157549e-04 5.32 -1.615042020e-04 -1.615042020e-04 5.34 -1.392819938e-04 -1.392819938e-04 5.36 -1.202093331e-04 -1.202093331e-04 5.38 -1.038273577e-04 -1.038273577e-04 5.40 -8.974575012e-05 -8.974575012e-05 5.42 -7.763227499e-05 -7.763227499e-05 5.44 -6.720393986e-05 -6.720393986e-05 5.46 -5.821952652e-05 -5.821952652e-05 5.48 -5.047327681e-05 -5.047327681e-05 5.50 -4.378955241e-05 -4.378955241e-05 5.52 -3.801831580e-05 -3.801831580e-05 5.54 -3.303130421e-05 -3.303130421e-05 5.56 -2.871878821e-05 -2.871878821e-05 5.58 -2.498682402e-05 -2.498682402e-05 5.60 -2.175492279e-05 -2.175492279e-05 5.62 -1.895407234e-05 -1.895407234e-05 5.64 -1.652505686e-05 -1.652505686e-05 5.66 -1.441702876e-05 -1.441702876e-05 5.68 -1.258629390e-05 -1.258629390e-05 5.70 -1.099527773e-05 -1.099527773e-05 5.72 -9.611644633e-06 -9.611644633e-06 5.74 -8.407547293e-06 -8.407547293e-06 5.76 -7.358986427e-06 -7.358986427e-06 5.78 -6.445264249e-06 -6.445264249e-06 5.80 -5.648517615e-06 -5.648517615e-06 5.82 -4.953318938e-06 -4.953318938e-06 5.84 -4.346334788e-06 -4.346334788e-06 5.86 -3.816033634e-06 -3.816033634e-06 5.88 -3.352435472e-06 -3.352435472e-06 5.90 -2.946897177e-06 -2.946897177e-06 5.92 -2.591928360e-06 -2.591928360e-06 5.94 -2.281033275e-06 -2.281033275e-06 5.96 -2.008574999e-06 -2.008574999e-06 5.98 -1.769658666e-06 -1.769658666e-06 6.00 -1.560031006e-06 -1.560031006e-06