# 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 = Al2MgTi # 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 1.819870904e+02 1.819870904e+02 1.30 1.690100090e+02 1.690100090e+02 1.32 1.569827403e+02 1.569827403e+02 1.34 1.458299458e+02 1.458299458e+02 1.36 1.354822670e+02 1.354822670e+02 1.38 1.258774315e+02 1.258774315e+02 1.40 1.169596610e+02 1.169596610e+02 1.42 1.086777281e+02 1.086777281e+02 1.44 1.009829967e+02 1.009829967e+02 1.46 9.382852688e+01 9.382852688e+01 1.48 8.716977318e+01 8.716977318e+01 1.50 8.096639430e+01 8.096639430e+01 1.52 7.518359391e+01 7.518359391e+01 1.54 6.979185220e+01 6.979185220e+01 1.56 6.476549182e+01 6.476549182e+01 1.58 6.008113551e+01 6.008113551e+01 1.60 5.571661164e+01 5.571661164e+01 1.62 5.165033894e+01 5.165033894e+01 1.64 4.786120864e+01 4.786120864e+01 1.66 4.432841509e+01 4.432841509e+01 1.68 4.103161846e+01 4.103161846e+01 1.70 3.795226584e+01 3.795226584e+01 1.72 3.507666214e+01 3.507666214e+01 1.74 3.239082898e+01 3.239082898e+01 1.76 2.988193174e+01 2.988193174e+01 1.78 2.753848938e+01 2.753848938e+01 1.80 2.534997506e+01 2.534997506e+01 1.82 2.330664817e+01 2.330664817e+01 1.84 2.139950407e+01 2.139950407e+01 1.86 1.962022114e+01 1.962022114e+01 1.88 1.796104671e+01 1.796104671e+01 1.90 1.641463669e+01 1.641463669e+01 1.92 1.497388474e+01 1.497388474e+01 1.94 1.363179024e+01 1.363179024e+01 1.96 1.238141841e+01 1.238141841e+01 1.98 1.121598197e+01 1.121598197e+01 2.00 1.012902320e+01 1.012902320e+01 2.02 9.114621441e+00 9.114621441e+00 2.04 8.167533971e+00 8.167533971e+00 2.06 7.283210705e+00 7.283210705e+00 2.08 6.457692394e+00 6.457692394e+00 2.10 5.687454510e+00 5.687454510e+00 2.12 4.969258279e+00 4.969258279e+00 2.14 4.300043689e+00 4.300043689e+00 2.16 3.676871298e+00 3.676871298e+00 2.18 3.096902928e+00 3.096902928e+00 2.20 2.557408176e+00 2.557408176e+00 2.22 2.055779810e+00 2.055779810e+00 2.24 1.589552130e+00 1.589552130e+00 2.26 1.156419757e+00 1.156419757e+00 2.28 7.542556489e-01 7.542556489e-01 2.30 3.811272505e-01 3.811272505e-01 2.32 3.529967596e-02 3.529967596e-02 2.34 -2.847720878e-01 -2.847720878e-01 2.36 -5.804649105e-01 -5.804649105e-01 2.38 -8.530167801e-01 -8.530167801e-01 2.40 -1.103561246e+00 -1.103561246e+00 2.42 -1.333164243e+00 -1.333164243e+00 2.44 -1.542858599e+00 -1.542858599e+00 2.46 -1.733674778e+00 -1.733674778e+00 2.48 -1.906664068e+00 -1.906664068e+00 2.50 -2.062914037e+00 -2.062914037e+00 2.52 -2.203579222e+00 -2.203579222e+00 2.54 -2.329870221e+00 -2.329870221e+00 2.56 -2.442956334e+00 -2.442956334e+00 2.58 -2.544044791e+00 -2.544044791e+00 2.60 -2.634360217e+00 -2.634360217e+00 2.62 -2.715103174e+00 -2.715103174e+00 2.64 -2.787396877e+00 -2.787396877e+00 2.66 -2.852232115e+00 -2.852232115e+00 2.68 -2.910413290e+00 -2.910413290e+00 2.70 -2.962482148e+00 -2.962482148e+00 2.72 -3.008813700e+00 -3.008813700e+00 2.74 -3.049679006e+00 -3.049679006e+00 2.76 -3.085598695e+00 -3.085598695e+00 2.78 -3.117711197e+00 -3.117711197e+00 2.80 -3.145812126e+00 -3.145812126e+00 2.82 -3.169641337e+00 -3.169641337e+00 2.84 -3.189009347e+00 -3.189009347e+00 2.86 -3.203790751e+00 -3.203790751e+00 2.88 -3.213916756e+00 -3.213916756e+00 2.90 -3.219368116e+00 -3.219368116e+00 2.92 -3.220169839e+00 -3.220169839e+00 2.94 -3.216393443e+00 -3.216393443e+00 2.96 -3.208176758e+00 -3.208176758e+00 2.98 -3.195710899e+00 -3.195710899e+00 3.00 -3.179237130e+00 -3.179237130e+00 3.02 -3.159051903e+00 -3.159051903e+00 3.04 -3.135505718e+00 -3.135505718e+00 3.06 -3.108994403e+00 -3.108994403e+00 3.08 -3.079939239e+00 -3.079939239e+00 3.10 -3.048763315e+00 -3.048763315e+00 3.12 -3.015865413e+00 -3.015865413e+00 3.14 -2.981599407e+00 -2.981599407e+00 3.16 -2.946259865e+00 -2.946259865e+00 3.18 -2.910078850e+00 -2.910078850e+00 3.20 -2.873229559e+00 -2.873229559e+00 3.22 -2.835835350e+00 -2.835835350e+00 3.24 -2.797981006e+00 -2.797981006e+00 3.26 -2.759723861e+00 -2.759723861e+00 3.28 -2.721103309e+00 -2.721103309e+00 3.30 -2.682148083e+00 -2.682148083e+00 3.32 -2.642881308e+00 -2.642881308e+00 3.34 -2.603323769e+00 -2.603323769e+00 3.36 -2.563496005e+00 -2.563496005e+00 3.38 -2.523419811e+00 -2.523419811e+00 3.40 -2.483119535e+00 -2.483119535e+00 3.42 -2.442631835e+00 -2.442631835e+00 3.44 -2.401994332e+00 -2.401994332e+00 3.46 -2.361238864e+00 -2.361238864e+00 3.48 -2.320406880e+00 -2.320406880e+00 3.50 -2.279549581e+00 -2.279549581e+00 3.52 -2.238727183e+00 -2.238727183e+00 3.54 -2.198007086e+00 -2.198007086e+00 3.56 -2.157460990e+00 -2.157460990e+00 3.58 -2.117161201e+00 -2.117161201e+00 3.60 -2.077176625e+00 -2.077176625e+00 3.62 -2.037568940e+00 -2.037568940e+00 3.64 -1.998384551e+00 -1.998384551e+00 3.66 -1.959649090e+00 -1.959649090e+00 3.68 -1.921378284e+00 -1.921378284e+00 3.70 -1.883579524e+00 -1.883579524e+00 3.72 -1.846253078e+00 -1.846253078e+00 3.74 -1.809393578e+00 -1.809393578e+00 3.76 -1.772991487e+00 -1.772991487e+00 3.78 -1.737034366e+00 -1.737034366e+00 3.80 -1.701507875e+00 -1.701507875e+00 3.82 -1.666396501e+00 -1.666396501e+00 3.84 -1.631684068e+00 -1.631684068e+00 3.86 -1.597354072e+00 -1.597354072e+00 3.88 -1.563389885e+00 -1.563389885e+00 3.90 -1.529774867e+00 -1.529774867e+00 3.92 -1.496492311e+00 -1.496492311e+00 3.94 -1.463525965e+00 -1.463525965e+00 3.96 -1.430859266e+00 -1.430859266e+00 3.98 -1.398475945e+00 -1.398475945e+00 4.00 -1.366359959e+00 -1.366359959e+00 4.02 -1.334495641e+00 -1.334495641e+00 4.04 -1.302867930e+00 -1.302867930e+00 4.06 -1.271462726e+00 -1.271462726e+00 4.08 -1.240267404e+00 -1.240267404e+00 4.10 -1.209271162e+00 -1.209271162e+00 4.12 -1.178467414e+00 -1.178467414e+00 4.14 -1.147852571e+00 -1.147852571e+00 4.16 -1.117428971e+00 -1.117428971e+00 4.18 -1.087205789e+00 -1.087205789e+00 4.20 -1.057200311e+00 -1.057200311e+00 4.22 -1.027438962e+00 -1.027438962e+00 4.24 -9.979578471e-01 -9.979578471e-01 4.26 -9.688026154e-01 -9.688026154e-01 4.28 -9.400274781e-01 -9.400274781e-01 4.30 -9.116933002e-01 -9.116933002e-01 4.32 -8.838648253e-01 -8.838648253e-01 4.34 -8.566072300e-01 -8.566072300e-01 4.36 -8.299823277e-01 -8.299823277e-01 4.38 -8.040448272e-01 -8.040448272e-01 4.40 -7.788390495e-01 -7.788390495e-01 4.42 -7.543964459e-01 -7.543964459e-01 4.44 -7.307341252e-01 -7.307341252e-01 4.46 -7.078544487e-01 -7.078544487e-01 4.48 -6.857456011e-01 -6.857456011e-01 4.50 -6.643829379e-01 -6.643829379e-01 4.52 -6.437308552e-01 -6.437308552e-01 4.54 -6.237449213e-01 -6.237449213e-01 4.56 -6.043740455e-01 -6.043740455e-01 4.58 -5.855625220e-01 -5.855625220e-01 4.60 -5.672518480e-01 -5.672518480e-01 4.62 -5.493822793e-01 -5.493822793e-01 4.64 -5.318941339e-01 -5.318941339e-01 4.66 -5.147288857e-01 -5.147288857e-01 4.68 -4.978301096e-01 -4.978301096e-01 4.70 -4.811443468e-01 -4.811443468e-01 4.72 -4.646219516e-01 -4.646219516e-01 4.74 -4.482179750e-01 -4.482179750e-01 4.76 -4.318931186e-01 -4.318931186e-01 4.78 -4.156147740e-01 -4.156147740e-01 4.80 -3.993579164e-01 -3.993579164e-01 4.82 -3.831071567e-01 -3.831071567e-01 4.84 -3.668564208e-01 -3.668564208e-01 4.86 -3.506109093e-01 -3.506109093e-01 4.88 -3.343875362e-01 -3.343875362e-01 4.90 -3.182152342e-01 -3.182152342e-01 4.92 -3.021347317e-01 -3.021347317e-01 4.94 -2.861976995e-01 -2.861976995e-01 4.96 -2.704652066e-01 -2.704652066e-01 4.98 -2.550054980e-01 -2.550054980e-01 5.00 -2.398911826e-01 -2.398911826e-01 5.02 -2.251960010e-01 -2.251960010e-01 5.04 -2.109914106e-01 -2.109914106e-01 5.06 -1.973432615e-01 -1.973432615e-01 5.08 -1.843088385e-01 -1.843088385e-01 5.10 -1.719345073e-01 -1.719345073e-01 5.12 -1.602541294e-01 -1.602541294e-01 5.14 -1.492883216e-01 -1.492883216e-01 5.16 -1.390445394e-01 -1.390445394e-01 5.18 -1.295178832e-01 -1.295178832e-01 5.20 -1.206924692e-01 -1.206924692e-01 5.22 -1.125431752e-01 -1.125431752e-01 5.24 -1.050375769e-01 -1.050375769e-01 5.26 -9.813790565e-02 -9.813790565e-02 5.28 -9.180289793e-02 -9.180289793e-02 5.30 -8.598945063e-02 -8.598945063e-02 5.32 -8.065399418e-02 -8.065399418e-02 5.34 -7.575363309e-02 -7.575363309e-02 5.36 -7.124700748e-02 -7.124700748e-02 5.38 -6.709484390e-02 -6.709484390e-02 5.40 -6.325960210e-02 -6.325960210e-02 5.42 -5.970761600e-02 -5.970761600e-02 5.44 -5.640840996e-02 -5.640840996e-02 5.46 -5.333416035e-02 -5.333416035e-02 5.48 -5.045957196e-02 -5.045957196e-02 5.50 -4.776184364e-02 -4.776184364e-02 5.52 -4.522057378e-02 -4.522057378e-02 5.54 -4.281763359e-02 -4.281763359e-02 5.56 -4.053703332e-02 -4.053703332e-02 5.58 -3.836479554e-02 -3.836479554e-02 5.60 -3.628884287e-02 -3.628884287e-02 5.62 -3.429890254e-02 -3.429890254e-02 5.64 -3.238642504e-02 -3.238642504e-02 5.66 -3.054451069e-02 -3.054451069e-02 5.68 -2.876783582e-02 -2.876783582e-02 5.70 -2.705256454e-02 -2.705256454e-02 5.72 -2.539624441e-02 -2.539624441e-02 5.74 -2.379767244e-02 -2.379767244e-02 5.76 -2.225672708e-02 -2.225672708e-02 5.78 -2.077416629e-02 -2.077416629e-02 5.80 -1.935139602e-02 -1.935139602e-02 5.82 -1.799021870e-02 -1.799021870e-02 5.84 -1.669257508e-02 -1.669257508e-02 5.86 -1.546029541e-02 -1.546029541e-02 5.88 -1.429483810e-02 -1.429483810e-02 5.90 -1.319701238e-02 -1.319701238e-02 5.92 -1.216721089e-02 -1.216721089e-02 5.94 -1.120512036e-02 -1.120512036e-02 5.96 -1.030966740e-02 -1.030966740e-02 5.98 -9.479053297e-03 -9.479053297e-03 6.00 -8.710831083e-03 -8.710831083e-03