# 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 = Ni2PtTi # 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 2.126075141e+02 2.126075141e+02 1.30 1.968577430e+02 1.968577430e+02 1.32 1.822278192e+02 1.822278192e+02 1.34 1.686373534e+02 1.686373534e+02 1.36 1.560163864e+02 1.560163864e+02 1.38 1.442970284e+02 1.442970284e+02 1.40 1.334097910e+02 1.334097910e+02 1.42 1.232851414e+02 1.232851414e+02 1.44 1.138572651e+02 1.138572651e+02 1.46 1.050679267e+02 1.050679267e+02 1.48 9.686882407e+01 9.686882407e+01 1.50 8.922098139e+01 8.922098139e+01 1.52 8.209124548e+01 8.209124548e+01 1.54 7.544785237e+01 7.544785237e+01 1.56 6.925755999e+01 6.925755999e+01 1.58 6.348541600e+01 6.348541600e+01 1.60 5.809630213e+01 5.809630213e+01 1.62 5.305688648e+01 5.305688648e+01 1.64 4.833723091e+01 4.833723091e+01 1.66 4.391180558e+01 4.391180558e+01 1.68 3.975977263e+01 3.975977263e+01 1.70 3.586447465e+01 3.586447465e+01 1.72 3.221238268e+01 3.221238268e+01 1.74 2.882371105e+01 2.882371105e+01 1.76 2.572222519e+01 2.572222519e+01 1.78 2.288639943e+01 2.288639943e+01 1.80 2.029508669e+01 2.029508669e+01 1.82 1.792813453e+01 1.792813453e+01 1.84 1.576666000e+01 1.576666000e+01 1.86 1.379310987e+01 1.379310987e+01 1.88 1.199117858e+01 1.199117858e+01 1.90 1.034568682e+01 1.034568682e+01 1.92 8.842515228e+00 8.842515228e+00 1.94 7.468646779e+00 7.468646779e+00 1.96 6.212291031e+00 6.212291031e+00 1.98 5.063000795e+00 5.063000795e+00 2.00 4.011678820e+00 4.011678820e+00 2.02 3.050436596e+00 3.050436596e+00 2.04 2.172359148e+00 2.172359148e+00 2.06 1.371269000e+00 1.371269000e+00 2.08 6.415507784e-01 6.415507784e-01 2.10 -2.195847982e-02 -2.195847982e-02 2.12 -6.240380379e-01 -6.240380379e-01 2.14 -1.169133779e+00 -1.169133779e+00 2.16 -1.661395726e+00 -1.661395726e+00 2.18 -2.104703710e+00 -2.104703710e+00 2.20 -2.502686197e+00 -2.502686197e+00 2.22 -2.858740142e+00 -2.858740142e+00 2.24 -3.176054461e+00 -3.176054461e+00 2.26 -3.457634131e+00 -3.457634131e+00 2.28 -3.706320595e+00 -3.706320595e+00 2.30 -3.924806794e+00 -3.924806794e+00 2.32 -4.115647428e+00 -4.115647428e+00 2.34 -4.281261957e+00 -4.281261957e+00 2.36 -4.423928218e+00 -4.423928218e+00 2.38 -4.545766348e+00 -4.545766348e+00 2.40 -4.648721308e+00 -4.648721308e+00 2.42 -4.734555658e+00 -4.734555658e+00 2.44 -4.805393912e+00 -4.805393912e+00 2.46 -4.863720465e+00 -4.863720465e+00 2.48 -4.910449231e+00 -4.910449231e+00 2.50 -4.946448377e+00 -4.946448377e+00 2.52 -4.972608044e+00 -4.972608044e+00 2.54 -4.989823043e+00 -4.989823043e+00 2.56 -4.999001594e+00 -4.999001594e+00 2.58 -5.000941560e+00 -5.000941560e+00 2.60 -4.996288263e+00 -4.996288263e+00 2.62 -4.985587907e+00 -4.985587907e+00 2.64 -4.969286217e+00 -4.969286217e+00 2.66 -4.947753397e+00 -4.947753397e+00 2.68 -4.921316039e+00 -4.921316039e+00 2.70 -4.890284434e+00 -4.890284434e+00 2.72 -4.854959701e+00 -4.854959701e+00 2.74 -4.815578959e+00 -4.815578959e+00 2.76 -4.772370485e+00 -4.772370485e+00 2.78 -4.725561857e+00 -4.725561857e+00 2.80 -4.675229583e+00 -4.675229583e+00 2.82 -4.621383240e+00 -4.621383240e+00 2.84 -4.564070037e+00 -4.564070037e+00 2.86 -4.503374675e+00 -4.503374675e+00 2.88 -4.439425239e+00 -4.439425239e+00 2.90 -4.372402927e+00 -4.372402927e+00 2.92 -4.302550865e+00 -4.302550865e+00 2.94 -4.230177785e+00 -4.230177785e+00 2.96 -4.155653537e+00 -4.155653537e+00 2.98 -4.079395238e+00 -4.079395238e+00 3.00 -4.001845008e+00 -4.001845008e+00 3.02 -3.923442388e+00 -3.923442388e+00 3.04 -3.844596124e+00 -3.844596124e+00 3.06 -3.765660764e+00 -3.765660764e+00 3.08 -3.686921225e+00 -3.686921225e+00 3.10 -3.608588376e+00 -3.608588376e+00 3.12 -3.530803898e+00 -3.530803898e+00 3.14 -3.453652310e+00 -3.453652310e+00 3.16 -3.377175898e+00 -3.377175898e+00 3.18 -3.301391219e+00 -3.301391219e+00 3.20 -3.226343852e+00 -3.226343852e+00 3.22 -3.152113997e+00 -3.152113997e+00 3.24 -3.078761507e+00 -3.078761507e+00 3.26 -3.006331102e+00 -3.006331102e+00 3.28 -2.934858195e+00 -2.934858195e+00 3.30 -2.864372097e+00 -2.864372097e+00 3.32 -2.794897552e+00 -2.794897552e+00 3.34 -2.726455284e+00 -2.726455284e+00 3.36 -2.659062028e+00 -2.659062028e+00 3.38 -2.592730380e+00 -2.592730380e+00 3.40 -2.527468687e+00 -2.527468687e+00 3.42 -2.463281280e+00 -2.463281280e+00 3.44 -2.400168916e+00 -2.400168916e+00 3.46 -2.338129777e+00 -2.338129777e+00 3.48 -2.277160695e+00 -2.277160695e+00 3.50 -2.217258442e+00 -2.217258442e+00 3.52 -2.158420758e+00 -2.158420758e+00 3.54 -2.100646758e+00 -2.100646758e+00 3.56 -2.043936491e+00 -2.043936491e+00 3.58 -1.988289669e+00 -1.988289669e+00 3.60 -1.933703857e+00 -1.933703857e+00 3.62 -1.880172638e+00 -1.880172638e+00 3.64 -1.827684290e+00 -1.827684290e+00 3.66 -1.776221373e+00 -1.776221373e+00 3.68 -1.725761359e+00 -1.725761359e+00 3.70 -1.676278179e+00 -1.676278179e+00 3.72 -1.627744404e+00 -1.627744404e+00 3.74 -1.580133713e+00 -1.580133713e+00 3.76 -1.533423332e+00 -1.533423332e+00 3.78 -1.487596154e+00 -1.487596154e+00 3.80 -1.442642288e+00 -1.442642288e+00 3.82 -1.398559820e+00 -1.398559820e+00 3.84 -1.355354595e+00 -1.355354595e+00 3.86 -1.313038923e+00 -1.313038923e+00 3.88 -1.271629277e+00 -1.271629277e+00 3.90 -1.231143202e+00 -1.231143202e+00 3.92 -1.191595845e+00 -1.191595845e+00 3.94 -1.152996749e+00 -1.152996749e+00 3.96 -1.115347188e+00 -1.115347188e+00 3.98 -1.078638831e+00 -1.078638831e+00 4.00 -1.042853666e+00 -1.042853666e+00 4.02 -1.007965281e+00 -1.007965281e+00 4.04 -9.739412444e-01 -9.739412444e-01 4.06 -9.407461887e-01 -9.407461887e-01 4.08 -9.083451646e-01 -9.083451646e-01 4.10 -8.767067543e-01 -8.767067543e-01 4.12 -8.458059550e-01 -8.458059550e-01 4.14 -8.156255302e-01 -8.156255302e-01 4.16 -7.861570227e-01 -7.861570227e-01 4.18 -7.574002868e-01 -7.574002868e-01 4.20 -7.293620612e-01 -7.293620612e-01 4.22 -7.020537227e-01 -7.020537227e-01 4.24 -6.754885567e-01 -6.754885567e-01 4.26 -6.496789621e-01 -6.496789621e-01 4.28 -6.246340051e-01 -6.246340051e-01 4.30 -6.003576669e-01 -6.003576669e-01 4.32 -5.768479880e-01 -5.768479880e-01 4.34 -5.540971375e-01 -5.540971375e-01 4.36 -5.320922680e-01 -5.320922680e-01 4.38 -5.108168881e-01 -5.108168881e-01 4.40 -4.902524190e-01 -4.902524190e-01 4.42 -4.703796060e-01 -4.703796060e-01 4.44 -4.511795219e-01 -4.511795219e-01 4.46 -4.326340051e-01 -4.326340051e-01 4.48 -4.147255070e-01 -4.147255070e-01 4.50 -3.974364418e-01 -3.974364418e-01 4.52 -3.807482328e-01 -3.807482328e-01 4.54 -3.646402996e-01 -3.646402996e-01 4.56 -3.490892314e-01 -3.490892314e-01 4.58 -3.340683509e-01 -3.340683509e-01 4.60 -3.195477922e-01 -3.195477922e-01 4.62 -3.054951260e-01 -3.054951260e-01 4.64 -2.918764799e-01 -2.918764799e-01 4.66 -2.786580353e-01 -2.786580353e-01 4.68 -2.658077408e-01 -2.658077408e-01 4.70 -2.532970668e-01 -2.532970668e-01 4.72 -2.411026365e-01 -2.411026365e-01 4.74 -2.292075668e-01 -2.292075668e-01 4.76 -2.176021403e-01 -2.176021403e-01 4.78 -2.062849080e-01 -2.062849080e-01 4.80 -1.952622407e-01 -1.952622407e-01 4.82 -1.845475928e-01 -1.845475928e-01 4.84 -1.741600654e-01 -1.741600654e-01 4.86 -1.641229765e-01 -1.641229765e-01 4.88 -1.544618715e-01 -1.544618715e-01 4.90 -1.452024476e-01 -1.452024476e-01 4.92 -1.363685323e-01 -1.363685323e-01 4.94 -1.279802933e-01 -1.279802933e-01 4.96 -1.200528208e-01 -1.200528208e-01 4.98 -1.125951844e-01 -1.125951844e-01 5.00 -1.056099793e-01 -1.056099793e-01 5.02 -9.909334394e-02 -9.909334394e-02 5.04 -9.303538122e-02 -9.303538122e-02 5.06 -8.742088271e-02 -8.742088271e-02 5.08 -8.223026380e-02 -8.223026380e-02 5.10 -7.744102946e-02 -7.744102946e-02 5.12 -7.302774526e-02 -7.302774526e-02 5.14 -6.896332016e-02 -6.896332016e-02 5.16 -6.522019394e-02 -6.522019394e-02 5.18 -6.177101890e-02 -6.177101890e-02 5.20 -5.858919851e-02 -5.858919851e-02 5.22 -5.564928888e-02 -5.564928888e-02 5.24 -5.292727649e-02 -5.292727649e-02 5.26 -5.040074960e-02 -5.040074960e-02 5.28 -4.804898221e-02 -4.804898221e-02 5.30 -4.585294915e-02 -4.585294915e-02 5.32 -4.379528940e-02 -4.379528940e-02 5.34 -4.186023287e-02 -4.186023287e-02 5.36 -4.003350354e-02 -4.003350354e-02 5.38 -3.830220984e-02 -3.830220984e-02 5.40 -3.665473093e-02 -3.665473093e-02 5.42 -3.508060562e-02 -3.508060562e-02 5.44 -3.357042938e-02 -3.357042938e-02 5.46 -3.211576325e-02 -3.211576325e-02 5.48 -3.070905739e-02 -3.070905739e-02 5.50 -2.934359124e-02 -2.934359124e-02 5.52 -2.801343107e-02 -2.801343107e-02 5.54 -2.671340510e-02 -2.671340510e-02 5.56 -2.543909535e-02 -2.543909535e-02 5.58 -2.418684376e-02 -2.418684376e-02 5.60 -2.295377050e-02 -2.295377050e-02 5.62 -2.173779936e-02 -2.173779936e-02 5.64 -2.053768477e-02 -2.053768477e-02 5.66 -1.935303329e-02 -1.935303329e-02 5.68 -1.818431206e-02 -1.818431206e-02 5.70 -1.703283584e-02 -1.703283584e-02 5.72 -1.590072526e-02 -1.590072526e-02 5.74 -1.479083023e-02 -1.479083023e-02 5.76 -1.370661551e-02 -1.370661551e-02 5.78 -1.265189813e-02 -1.265189813e-02 5.80 -1.163081310e-02 -1.163081310e-02 5.82 -1.064771177e-02 -1.064771177e-02 5.84 -9.706793289e-03 -9.706793289e-03 5.86 -8.811894154e-03 -8.811894154e-03 5.88 -7.966300482e-03 -7.966300482e-03 5.90 -7.172597042e-03 -7.172597042e-03 5.92 -6.432563164e-03 -6.432563164e-03 5.94 -5.747120675e-03 -5.747120675e-03 5.96 -5.116333531e-03 -5.116333531e-03 5.98 -4.539453950e-03 -4.539453950e-03 6.00 -4.015006131e-03 -4.015006131e-03