# 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 = Ni2TaW # 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 2.323604316e+02 2.323604316e+02 1.30 2.136894718e+02 2.136894718e+02 1.32 1.964900363e+02 1.964900363e+02 1.34 1.806373705e+02 1.806373705e+02 1.36 1.660194758e+02 1.660194758e+02 1.38 1.525357371e+02 1.525357371e+02 1.40 1.400951171e+02 1.400951171e+02 1.42 1.286147070e+02 1.286147070e+02 1.44 1.180184225e+02 1.180184225e+02 1.46 1.082355512e+02 1.082355512e+02 1.48 9.919954828e+01 9.919954828e+01 1.50 9.084771831e+01 9.084771831e+01 1.52 8.312194482e+01 8.312194482e+01 1.54 7.596985489e+01 7.596985489e+01 1.56 6.934545547e+01 6.934545547e+01 1.58 6.320877758e+01 6.320877758e+01 1.60 5.752486823e+01 5.752486823e+01 1.62 5.226271555e+01 5.226271555e+01 1.64 4.739435279e+01 4.739435279e+01 1.66 4.289407620e+01 4.289407620e+01 1.68 3.873773663e+01 3.873773663e+01 1.70 3.490218033e+01 3.490218033e+01 1.72 3.136491352e+01 3.136491352e+01 1.74 2.810401698e+01 2.810401698e+01 1.76 2.509829895e+01 2.509829895e+01 1.78 2.232761311e+01 2.232761311e+01 1.80 1.977390835e+01 1.977390835e+01 1.82 1.742485388e+01 1.742485388e+01 1.84 1.526539489e+01 1.526539489e+01 1.86 1.328108827e+01 1.328108827e+01 1.88 1.145891720e+01 1.145891720e+01 1.90 9.786989907e+00 9.786989907e+00 1.92 8.254248577e+00 8.254248577e+00 1.94 6.850235261e+00 6.850235261e+00 1.96 5.564984356e+00 5.564984356e+00 1.98 4.389016939e+00 4.389016939e+00 2.00 3.313398199e+00 3.313398199e+00 2.02 2.329812573e+00 2.329812573e+00 2.04 1.430619378e+00 1.430619378e+00 2.06 6.088675969e-01 6.088675969e-01 2.08 -1.417333889e-01 -1.417333889e-01 2.10 -8.268730965e-01 -8.268730965e-01 2.12 -1.451705628e+00 -1.451705628e+00 2.14 -2.020902354e+00 -2.020902354e+00 2.16 -2.538687197e+00 -2.538687197e+00 2.18 -3.008864867e+00 -3.008864867e+00 2.20 -3.434857160e+00 -3.434857160e+00 2.22 -3.819756292e+00 -3.819756292e+00 2.24 -4.166393853e+00 -4.166393853e+00 2.26 -4.477417188e+00 -4.477417188e+00 2.28 -4.755364055e+00 -4.755364055e+00 2.30 -5.002726996e+00 -5.002726996e+00 2.32 -5.221996277e+00 -5.221996277e+00 2.34 -5.415667173e+00 -5.415667173e+00 2.36 -5.586202127e+00 -5.586202127e+00 2.38 -5.735952324e+00 -5.735952324e+00 2.40 -5.866989008e+00 -5.866989008e+00 2.42 -5.981238269e+00 -5.981238269e+00 2.44 -6.080354355e+00 -6.080354355e+00 2.46 -6.165596902e+00 -6.165596902e+00 2.48 -6.238236375e+00 -6.238236375e+00 2.50 -6.299332230e+00 -6.299332230e+00 2.52 -6.349744952e+00 -6.349744952e+00 2.54 -6.390187917e+00 -6.390187917e+00 2.56 -6.421146357e+00 -6.421146357e+00 2.58 -6.442846141e+00 -6.442846141e+00 2.60 -6.455275998e+00 -6.455275998e+00 2.62 -6.458421874e+00 -6.458421874e+00 2.64 -6.452368982e+00 -6.452368982e+00 2.66 -6.437284155e+00 -6.437284155e+00 2.68 -6.413404452e+00 -6.413404452e+00 2.70 -6.381028538e+00 -6.381028538e+00 2.72 -6.340507186e+00 -6.340507186e+00 2.74 -6.292230400e+00 -6.292230400e+00 2.76 -6.236610697e+00 -6.236610697e+00 2.78 -6.174065676e+00 -6.174065676e+00 2.80 -6.104999002e+00 -6.104999002e+00 2.82 -6.029793372e+00 -6.029793372e+00 2.84 -5.948813669e+00 -5.948813669e+00 2.86 -5.862415728e+00 -5.862415728e+00 2.88 -5.770961433e+00 -5.770961433e+00 2.90 -5.674835847e+00 -5.674835847e+00 2.92 -5.574462119e+00 -5.574462119e+00 2.94 -5.470306584e+00 -5.470306584e+00 2.96 -5.362762265e+00 -5.362762265e+00 2.98 -5.252153574e+00 -5.252153574e+00 3.00 -5.138869498e+00 -5.138869498e+00 3.02 -5.023342524e+00 -5.023342524e+00 3.04 -4.906016982e+00 -4.906016982e+00 3.06 -4.787318921e+00 -4.787318921e+00 3.08 -4.667630914e+00 -4.667630914e+00 3.10 -4.547274492e+00 -4.547274492e+00 3.12 -4.426501782e+00 -4.426501782e+00 3.14 -4.305496470e+00 -4.305496470e+00 3.16 -4.184382920e+00 -4.184382920e+00 3.18 -4.063241335e+00 -4.063241335e+00 3.20 -3.942126307e+00 -3.942126307e+00 3.22 -3.821086081e+00 -3.821086081e+00 3.24 -3.700180115e+00 -3.700180115e+00 3.26 -3.579493031e+00 -3.579493031e+00 3.28 -3.459143711e+00 -3.459143711e+00 3.30 -3.339289004e+00 -3.339289004e+00 3.32 -3.220122225e+00 -3.220122225e+00 3.34 -3.101867287e+00 -3.101867287e+00 3.36 -2.984769714e+00 -2.984769714e+00 3.38 -2.869086020e+00 -2.869086020e+00 3.40 -2.755072840e+00 -2.755072840e+00 3.42 -2.642976866e+00 -2.642976866e+00 3.44 -2.533026240e+00 -2.533026240e+00 3.46 -2.425423609e+00 -2.425423609e+00 3.48 -2.320340810e+00 -2.320340810e+00 3.50 -2.217915024e+00 -2.217915024e+00 3.52 -2.118246336e+00 -2.118246336e+00 3.54 -2.021396729e+00 -2.021396729e+00 3.56 -1.927390675e+00 -1.927390675e+00 3.58 -1.836217503e+00 -1.836217503e+00 3.60 -1.747835641e+00 -1.747835641e+00 3.62 -1.662178674e+00 -1.662178674e+00 3.64 -1.579162964e+00 -1.579162964e+00 3.66 -1.498696373e+00 -1.498696373e+00 3.68 -1.420687513e+00 -1.420687513e+00 3.70 -1.345054819e+00 -1.345054819e+00 3.72 -1.271734752e+00 -1.271734752e+00 3.74 -1.200688453e+00 -1.200688453e+00 3.76 -1.131906253e+00 -1.131906253e+00 3.78 -1.065409573e+00 -1.065409573e+00 3.80 -1.001249923e+00 -1.001249923e+00 3.82 -9.395049277e-01 -9.395049277e-01 3.84 -8.802715635e-01 -8.802715635e-01 3.86 -8.236570870e-01 -8.236570870e-01 3.88 -7.697684353e-01 -7.697684353e-01 3.90 -7.187011155e-01 -7.187011155e-01 3.92 -6.705287392e-01 -6.705287392e-01 3.94 -6.252943276e-01 -6.252943276e-01 3.96 -5.830042852e-01 -5.830042852e-01 3.98 -5.436255584e-01 -5.436255584e-01 4.00 -5.070860312e-01 -5.070860312e-01 4.02 -4.732777696e-01 -4.732777696e-01 4.04 -4.420624100e-01 -4.420624100e-01 4.06 -4.132778380e-01 -4.132778380e-01 4.08 -3.867453203e-01 -3.867453203e-01 4.10 -3.622764017e-01 -3.622764017e-01 4.12 -3.396790828e-01 -3.396790828e-01 4.14 -3.187630127e-01 -3.187630127e-01 4.16 -2.993436207e-01 -2.993436207e-01 4.18 -2.812452445e-01 -2.812452445e-01 4.20 -2.643034018e-01 -2.643034018e-01 4.22 -2.483663925e-01 -2.483663925e-01 4.24 -2.332964232e-01 -2.332964232e-01 4.26 -2.189704273e-01 -2.189704273e-01 4.28 -2.052807155e-01 -2.052807155e-01 4.30 -1.921355385e-01 -1.921355385e-01 4.32 -1.794595958e-01 -1.794595958e-01 4.34 -1.671944557e-01 -1.671944557e-01 4.36 -1.552987600e-01 -1.552987600e-01 4.38 -1.437477933e-01 -1.437477933e-01 4.40 -1.325339755e-01 -1.325339755e-01 4.42 -1.216650311e-01 -1.216650311e-01 4.44 -1.111618662e-01 -1.111618662e-01 4.46 -1.010559098e-01 -1.010559098e-01 4.48 -9.138573149e-02 -9.138573149e-02 4.50 -8.219315950e-02 -8.219315950e-02 4.52 -7.351922989e-02 -7.351922989e-02 4.54 -6.540035197e-02 -6.540035197e-02 4.56 -5.786506764e-02 -5.786506764e-02 4.58 -5.093170502e-02 -5.093170502e-02 4.60 -4.460708914e-02 -4.460708914e-02 4.62 -3.888633541e-02 -3.888633541e-02 4.64 -3.375360563e-02 -3.375360563e-02 4.66 -2.918359798e-02 -2.918359798e-02 4.68 -2.514348814e-02 -2.514348814e-02 4.70 -2.159506227e-02 -2.159506227e-02 4.72 -1.849680498e-02 -1.849680498e-02 4.74 -1.580534556e-02 -1.580534556e-02 4.76 -1.347819087e-02 -1.347819087e-02 4.78 -1.147443666e-02 -1.147443666e-02 4.80 -9.755319496e-03 -9.755319496e-03 4.82 -8.284885651e-03 -8.284885651e-03 4.84 -7.030362194e-03 -7.030362194e-03 4.86 -5.962298521e-03 -5.962298521e-03 4.88 -5.054538492e-03 -5.054538492e-03 4.90 -4.284076661e-03 -4.284076661e-03 4.92 -3.630841283e-03 -3.630841283e-03 4.94 -3.077437014e-03 -3.077437014e-03 4.96 -2.608871444e-03 -2.608871444e-03 4.98 -2.212282313e-03 -2.212282313e-03 5.00 -1.876676476e-03 -1.876676476e-03 5.02 -1.592687317e-03 -1.592687317e-03 5.04 -1.352354137e-03 -1.352354137e-03 5.06 -1.148924801e-03 -1.148924801e-03 5.08 -9.766814345e-04 -9.766814345e-04 5.10 -8.307880365e-04 -8.307880365e-04 5.12 -7.071583234e-04 -7.071583234e-04 5.14 -6.023418626e-04 -6.023418626e-04 5.16 -5.134264788e-04 -5.134264788e-04 5.18 -4.379549610e-04 -4.379549610e-04 5.20 -3.738542193e-04 -3.738542193e-04 5.22 -3.193751948e-04 -3.193751948e-04 5.24 -2.730420039e-04 -2.730420039e-04 5.26 -2.336089734e-04 -2.336089734e-04 5.28 -2.000243887e-04 -2.000243887e-04 5.30 -1.713999405e-04 -1.713999405e-04 5.32 -1.469849920e-04 -1.469849920e-04 5.34 -1.261449177e-04 -1.261449177e-04 5.36 -1.083428767e-04 -1.083428767e-04 5.38 -9.312447711e-05 -9.312447711e-05 5.40 -8.010487397e-05 -8.010487397e-05 5.42 -6.895791381e-05 -6.895791381e-05 5.44 -5.940699877e-05 -5.940699877e-05 5.46 -5.121739618e-05 -5.121739618e-05 5.48 -4.418976242e-05 -4.418976242e-05 5.50 -3.815468703e-05 -3.815468703e-05 5.52 -3.296809426e-05 -3.296809426e-05 5.54 -2.850736521e-05 -2.850736521e-05 5.56 -2.466806590e-05 -2.466806590e-05 5.58 -2.136118489e-05 -2.136118489e-05 5.60 -1.851079976e-05 -1.851079976e-05 5.62 -1.605210452e-05 -1.605210452e-05 5.64 -1.392974112e-05 -1.392974112e-05 5.66 -1.209638714e-05 -1.209638714e-05 5.68 -1.051155959e-05 -1.051155959e-05 5.70 -9.140601029e-06 -9.140601029e-06 5.72 -7.953819529e-06 -7.953819529e-06 5.74 -6.925758764e-06 -6.925758764e-06 5.76 -6.034577977e-06 -6.034577977e-06 5.78 -5.261524966e-06 -5.261524966e-06 5.80 -4.590487801e-06 -4.590487801e-06 5.82 -4.007613226e-06 -4.007613226e-06 5.84 -3.500981616e-06 -3.500981616e-06 5.86 -3.060329876e-06 -3.060329876e-06 5.88 -2.676815073e-06 -2.676815073e-06 5.90 -2.342812650e-06 -2.342812650e-06 5.92 -2.051744046e-06 -2.051744046e-06 5.94 -1.797929333e-06 -1.797929333e-06 5.96 -1.576461145e-06 -1.576461145e-06 5.98 -1.383096759e-06 -1.383096759e-06 6.00 -1.214165635e-06 -1.214165635e-06