# 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 = CuTa2Ti # 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 2.769559268e+02 2.769559268e+02 1.30 2.563198540e+02 2.563198540e+02 1.32 2.372282542e+02 2.372282542e+02 1.34 2.195572494e+02 2.195572494e+02 1.36 2.031943821e+02 2.031943821e+02 1.38 1.880370580e+02 1.880370580e+02 1.40 1.739915809e+02 1.739915809e+02 1.42 1.609724826e+02 1.609724826e+02 1.44 1.489015405e+02 1.489015405e+02 1.46 1.377063355e+02 1.377063355e+02 1.48 1.273187310e+02 1.273187310e+02 1.50 1.176739081e+02 1.176739081e+02 1.52 1.087103667e+02 1.087103667e+02 1.54 1.003708005e+02 1.003708005e+02 1.56 9.260330462e+01 9.260330462e+01 1.58 8.536221671e+01 8.536221671e+01 1.60 7.860818477e+01 7.860818477e+01 1.62 7.230751589e+01 7.230751589e+01 1.64 6.643108678e+01 6.643108678e+01 1.66 6.095311166e+01 6.095311166e+01 1.68 5.585004195e+01 5.585004195e+01 1.70 5.109978723e+01 5.109978723e+01 1.72 4.668127395e+01 4.668127395e+01 1.74 4.257422377e+01 4.257422377e+01 1.76 3.875903487e+01 3.875903487e+01 1.78 3.521673613e+01 3.521673613e+01 1.80 3.192902909e+01 3.192902909e+01 1.82 2.887840505e+01 2.887840505e+01 1.84 2.604827686e+01 2.604827686e+01 1.86 2.342454822e+01 2.342454822e+01 1.88 2.100000251e+01 2.100000251e+01 1.90 1.876131314e+01 1.876131314e+01 1.92 1.669490402e+01 1.669490402e+01 1.94 1.478780952e+01 1.478780952e+01 1.96 1.302742370e+01 1.302742370e+01 1.98 1.140173880e+01 1.140173880e+01 2.00 9.899427543e+00 9.899427543e+00 2.02 8.510003253e+00 8.510003253e+00 2.04 7.223995342e+00 7.223995342e+00 2.06 6.033068519e+00 6.033068519e+00 2.08 4.930045009e+00 4.930045009e+00 2.10 3.908819668e+00 3.908819668e+00 2.12 2.964189516e+00 2.964189516e+00 2.14 2.091641222e+00 2.091641222e+00 2.16 1.287142520e+00 1.287142520e+00 2.18 5.469685337e-01 5.469685337e-01 2.20 -1.324265925e-01 -1.324265925e-01 2.22 -7.544975083e-01 -7.544975083e-01 2.24 -1.322663728e+00 -1.322663728e+00 2.26 -1.840342044e+00 -1.840342044e+00 2.28 -2.310961423e+00 -2.310961423e+00 2.30 -2.737962978e+00 -2.737962978e+00 2.32 -3.124784547e+00 -3.124784547e+00 2.34 -3.474823431e+00 -3.474823431e+00 2.36 -3.791376146e+00 -3.791376146e+00 2.38 -4.077562877e+00 -4.077562877e+00 2.40 -4.336254475e+00 -4.336254475e+00 2.42 -4.570020107e+00 -4.570020107e+00 2.44 -4.781105707e+00 -4.781105707e+00 2.46 -4.971443580e+00 -4.971443580e+00 2.48 -5.142685439e+00 -5.142685439e+00 2.50 -5.296248138e+00 -5.296248138e+00 2.52 -5.433361785e+00 -5.433361785e+00 2.54 -5.555106468e+00 -5.555106468e+00 2.56 -5.662278009e+00 -5.662278009e+00 2.58 -5.755854731e+00 -5.755854731e+00 2.60 -5.836855677e+00 -5.836855677e+00 2.62 -5.906212056e+00 -5.906212056e+00 2.64 -5.964786783e+00 -5.964786783e+00 2.66 -6.013387313e+00 -6.013387313e+00 2.68 -6.052773032e+00 -6.052773032e+00 2.70 -6.083657079e+00 -6.083657079e+00 2.72 -6.106621482e+00 -6.106621482e+00 2.74 -6.121905471e+00 -6.121905471e+00 2.76 -6.129695071e+00 -6.129695071e+00 2.78 -6.130189658e+00 -6.130189658e+00 2.80 -6.123587298e+00 -6.123587298e+00 2.82 -6.110078387e+00 -6.110078387e+00 2.84 -6.089846747e+00 -6.089846747e+00 2.86 -6.063092486e+00 -6.063092486e+00 2.88 -6.030034399e+00 -6.030034399e+00 2.90 -5.990839242e+00 -5.990839242e+00 2.92 -5.945697818e+00 -5.945697818e+00 2.94 -5.894830413e+00 -5.894830413e+00 2.96 -5.838485765e+00 -5.838485765e+00 2.98 -5.776938166e+00 -5.776938166e+00 3.00 -5.710482761e+00 -5.710482761e+00 3.02 -5.639494069e+00 -5.639494069e+00 3.04 -5.564404282e+00 -5.564404282e+00 3.06 -5.485318889e+00 -5.485318889e+00 3.08 -5.402311275e+00 -5.402311275e+00 3.10 -5.315469601e+00 -5.315469601e+00 3.12 -5.224888700e+00 -5.224888700e+00 3.14 -5.130669390e+00 -5.130669390e+00 3.16 -5.032924603e+00 -5.032924603e+00 3.18 -4.931791238e+00 -4.931791238e+00 3.20 -4.827444588e+00 -4.827444588e+00 3.22 -4.720123446e+00 -4.720123446e+00 3.24 -4.610135258e+00 -4.610135258e+00 3.26 -4.497849425e+00 -4.497849425e+00 3.28 -4.383695167e+00 -4.383695167e+00 3.30 -4.268152465e+00 -4.268152465e+00 3.32 -4.151735952e+00 -4.151735952e+00 3.34 -4.034973155e+00 -4.034973155e+00 3.36 -3.918379439e+00 -3.918379439e+00 3.38 -3.802432586e+00 -3.802432586e+00 3.40 -3.687550051e+00 -3.687550051e+00 3.42 -3.574071550e+00 -3.574071550e+00 3.44 -3.462248489e+00 -3.462248489e+00 3.46 -3.352241016e+00 -3.352241016e+00 3.48 -3.244121967e+00 -3.244121967e+00 3.50 -3.137886416e+00 -3.137886416e+00 3.52 -3.033464968e+00 -3.033464968e+00 3.54 -2.930738942e+00 -2.930738942e+00 3.56 -2.829555877e+00 -2.829555877e+00 3.58 -2.729744355e+00 -2.729744355e+00 3.60 -2.631127707e+00 -2.631127707e+00 3.62 -2.533536679e+00 -2.533536679e+00 3.64 -2.436821303e+00 -2.436821303e+00 3.66 -2.340862207e+00 -2.340862207e+00 3.68 -2.245581298e+00 -2.245581298e+00 3.70 -2.150951409e+00 -2.150951409e+00 3.72 -2.057004185e+00 -2.057004185e+00 3.74 -1.963835353e+00 -1.963835353e+00 3.76 -1.871606469e+00 -1.871606469e+00 3.78 -1.780542444e+00 -1.780542444e+00 3.80 -1.690924427e+00 -1.690924427e+00 3.82 -1.603078109e+00 -1.603078109e+00 3.84 -1.517358005e+00 -1.517358005e+00 3.86 -1.434128850e+00 -1.434128850e+00 3.88 -1.353745649e+00 -1.353745649e+00 3.90 -1.276534240e+00 -1.276534240e+00 3.92 -1.202774119e+00 -1.202774119e+00 3.94 -1.132685193e+00 -1.132685193e+00 3.96 -1.066419100e+00 -1.066419100e+00 3.98 -1.004055892e+00 -1.004055892e+00 4.00 -9.456054327e-01 -9.456054327e-01 4.02 -8.910128872e-01 -8.910128872e-01 4.04 -8.401671677e-01 -8.401671677e-01 4.06 -7.929111752e-01 -7.929111752e-01 4.08 -7.490527257e-01 -7.490527257e-01 4.10 -7.083751767e-01 -7.083751767e-01 4.12 -6.706476235e-01 -6.706476235e-01 4.14 -6.356329121e-01 -6.356329121e-01 4.16 -6.030951563e-01 -6.030951563e-01 4.18 -5.728052994e-01 -5.728052994e-01 4.20 -5.445454294e-01 -5.445454294e-01 4.22 -5.181119194e-01 -5.181119194e-01 4.24 -4.933175883e-01 -4.933175883e-01 4.26 -4.699930739e-01 -4.699930739e-01 4.28 -4.479875795e-01 -4.479875795e-01 4.30 -4.271691159e-01 -4.271691159e-01 4.32 -4.074243141e-01 -4.074243141e-01 4.34 -3.886578454e-01 -3.886578454e-01 4.36 -3.707914551e-01 -3.707914551e-01 4.38 -3.537625997e-01 -3.537625997e-01 4.40 -3.375226943e-01 -3.375226943e-01 4.42 -3.220349959e-01 -3.220349959e-01 4.44 -3.072721755e-01 -3.072721755e-01 4.46 -2.932135255e-01 -2.932135255e-01 4.48 -2.798429780e-01 -2.798429780e-01 4.50 -2.671463277e-01 -2.671463277e-01 4.52 -2.551090377e-01 -2.551090377e-01 4.54 -2.437146726e-01 -2.437146726e-01 4.56 -2.329438631e-01 -2.329438631e-01 4.58 -2.227738162e-01 -2.227738162e-01 4.60 -2.131783179e-01 -2.131783179e-01 4.62 -2.041281297e-01 -2.041281297e-01 4.64 -1.955916557e-01 -1.955916557e-01 4.66 -1.875357525e-01 -1.875357525e-01 4.68 -1.799265757e-01 -1.799265757e-01 4.70 -1.727303755e-01 -1.727303755e-01 4.72 -1.659141908e-01 -1.659141908e-01 4.74 -1.594464134e-01 -1.594464134e-01 4.76 -1.532972169e-01 -1.532972169e-01 4.78 -1.474388636e-01 -1.474388636e-01 4.80 -1.418458625e-01 -1.418458625e-01 4.82 -1.364952628e-01 -1.364952628e-01 4.84 -1.313664341e-01 -1.313664341e-01 4.86 -1.264412676e-01 -1.264412676e-01 4.88 -1.217040992e-01 -1.217040992e-01 4.90 -1.171416523e-01 -1.171416523e-01 4.92 -1.127429471e-01 -1.127429471e-01 4.94 -1.084991719e-01 -1.084991719e-01 4.96 -1.044035075e-01 -1.044035075e-01 4.98 -1.004508977e-01 -1.004508977e-01 5.00 -9.663776620e-02 -9.663776620e-02 5.02 -9.296168140e-02 -9.296168140e-02 5.04 -8.942098651e-02 -8.942098651e-02 5.06 -8.601441528e-02 -8.601441528e-02 5.08 -8.274069320e-02 -8.274069320e-02 5.10 -7.959816142e-02 -7.959816142e-02 5.12 -7.658476853e-02 -7.658476853e-02 5.14 -7.369772667e-02 -7.369772667e-02 5.16 -7.093340725e-02 -7.093340725e-02 5.18 -6.828734724e-02 -6.828734724e-02 5.20 -6.575432597e-02 -6.575432597e-02 5.22 -6.332849138e-02 -6.332849138e-02 5.24 -6.100351363e-02 -6.100351363e-02 5.26 -5.877274592e-02 -5.877274592e-02 5.28 -5.662937666e-02 -5.662937666e-02 5.30 -5.456656247e-02 -5.456656247e-02 5.32 -5.257753714e-02 -5.257753714e-02 5.34 -5.065569389e-02 -5.065569389e-02 5.36 -4.879464452e-02 -4.879464452e-02 5.38 -4.698825978e-02 -4.698825978e-02 5.40 -4.523069493e-02 -4.523069493e-02 5.42 -4.351640640e-02 -4.351640640e-02 5.44 -4.184016457e-02 -4.184016457e-02 5.46 -4.019706765e-02 -4.019706765e-02 5.48 -3.858256035e-02 -3.858256035e-02 5.50 -3.699246065e-02 -3.699246065e-02 5.52 -3.542299692e-02 -3.542299692e-02 5.54 -3.387085617e-02 -3.387085617e-02 5.56 -3.233324563e-02 -3.233324563e-02 5.58 -3.080796247e-02 -3.080796247e-02 5.60 -2.929347099e-02 -2.929347099e-02 5.62 -2.778898251e-02 -2.778898251e-02 5.64 -2.629453117e-02 -2.629453117e-02 5.66 -2.481103721e-02 -2.481103721e-02 5.68 -2.334034831e-02 -2.334034831e-02 5.70 -2.188524904e-02 -2.188524904e-02 5.72 -2.044942912e-02 -2.044942912e-02 5.74 -1.903740318e-02 -1.903740318e-02 5.76 -1.765437584e-02 -1.765437584e-02 5.78 -1.630591667e-02 -1.630591667e-02 5.80 -1.499799466e-02 -1.499799466e-02 5.82 -1.373670386e-02 -1.373670386e-02 5.84 -1.252788280e-02 -1.252788280e-02 5.86 -1.137684852e-02 -1.137684852e-02 5.88 -1.028815911e-02 -1.028815911e-02 5.90 -9.265422996e-03 -9.265422996e-03 5.92 -8.311168374e-03 -8.311168374e-03 5.94 -7.426779652e-03 -7.426779652e-03 5.96 -6.612500503e-03 -6.612500503e-03 5.98 -5.867496953e-03 -5.867496953e-03 6.00 -5.189968959e-03 -5.189968959e-03