# 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 = MoTa2Ti # 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 3.505341083e+02 3.505341083e+02 1.30 3.250056331e+02 3.250056331e+02 1.32 3.013746571e+02 3.013746571e+02 1.34 2.794850300e+02 2.794850300e+02 1.36 2.591940480e+02 2.591940480e+02 1.38 2.403715594e+02 2.403715594e+02 1.40 2.228995910e+02 2.228995910e+02 1.42 2.066718106e+02 2.066718106e+02 1.44 1.915923170e+02 1.915923170e+02 1.46 1.775738656e+02 1.775738656e+02 1.48 1.645360553e+02 1.645360553e+02 1.50 1.524041084e+02 1.524041084e+02 1.52 1.411085588e+02 1.411085588e+02 1.54 1.305856777e+02 1.305856777e+02 1.56 1.207780776e+02 1.207780776e+02 1.58 1.116348571e+02 1.116348571e+02 1.60 1.031109897e+02 1.031109897e+02 1.62 9.516616853e+01 9.516616853e+01 1.64 8.776354667e+01 8.776354667e+01 1.66 8.086870865e+01 8.086870865e+01 1.68 7.444902083e+01 7.444902083e+01 1.70 6.847335762e+01 6.847335762e+01 1.72 6.291207601e+01 6.291207601e+01 1.74 5.773705863e+01 5.773705863e+01 1.76 5.292171362e+01 5.292171362e+01 1.78 4.844094491e+01 4.844094491e+01 1.80 4.427116288e+01 4.427116288e+01 1.82 4.039035815e+01 4.039035815e+01 1.84 3.677818162e+01 3.677818162e+01 1.86 3.341594832e+01 3.341594832e+01 1.88 3.028652032e+01 3.028652032e+01 1.90 2.737408438e+01 2.737408438e+01 1.92 2.466462542e+01 2.466462542e+01 1.94 2.215133538e+01 2.215133538e+01 1.96 1.982209116e+01 1.982209116e+01 1.98 1.766557272e+01 1.766557272e+01 2.00 1.566922777e+01 1.566922777e+01 2.02 1.382059733e+01 1.382059733e+01 2.04 1.210807937e+01 1.210807937e+01 2.06 1.052103781e+01 1.052103781e+01 2.08 9.049855927e+00 9.049855927e+00 2.10 7.685921595e+00 7.685921595e+00 2.12 6.421553099e+00 6.421553099e+00 2.14 5.249889518e+00 5.249889518e+00 2.16 4.164771530e+00 4.164771530e+00 2.18 3.160628508e+00 3.160628508e+00 2.20 2.232375231e+00 2.232375231e+00 2.22 1.375314956e+00 1.375314956e+00 2.24 5.850485943e-01 5.850485943e-01 2.26 -1.426055102e-01 -1.426055102e-01 2.28 -8.116748931e-01 -8.116748931e-01 2.30 -1.426074460e+00 -1.426074460e+00 2.32 -1.989625202e+00 -1.989625202e+00 2.34 -2.506048609e+00 -2.506048609e+00 2.36 -2.978939045e+00 -2.978939045e+00 2.38 -3.411719877e+00 -3.411719877e+00 2.40 -3.807594805e+00 -3.807594805e+00 2.42 -4.169507032e+00 -4.169507032e+00 2.44 -4.500115605e+00 -4.500115605e+00 2.46 -4.801792944e+00 -4.801792944e+00 2.48 -5.076641278e+00 -5.076641278e+00 2.50 -5.326521933e+00 -5.326521933e+00 2.52 -5.553090042e+00 -5.553090042e+00 2.54 -5.757828524e+00 -5.757828524e+00 2.56 -5.942077938e+00 -5.942077938e+00 2.58 -6.107061338e+00 -6.107061338e+00 2.60 -6.253904722e+00 -6.253904722e+00 2.62 -6.383653877e+00 -6.383653877e+00 2.64 -6.497288176e+00 -6.497288176e+00 2.66 -6.595650166e+00 -6.595650166e+00 2.68 -6.679521986e+00 -6.679521986e+00 2.70 -6.749890491e+00 -6.749890491e+00 2.72 -6.807684024e+00 -6.807684024e+00 2.74 -6.853767032e+00 -6.853767032e+00 2.76 -6.888942280e+00 -6.888942280e+00 2.78 -6.913952313e+00 -6.913952313e+00 2.80 -6.929481472e+00 -6.929481472e+00 2.82 -6.936132370e+00 -6.936132370e+00 2.84 -6.934266399e+00 -6.934266399e+00 2.86 -6.924107936e+00 -6.924107936e+00 2.88 -6.905881901e+00 -6.905881901e+00 2.90 -6.879848890e+00 -6.879848890e+00 2.92 -6.846313163e+00 -6.846313163e+00 2.94 -6.805481728e+00 -6.805481728e+00 2.96 -6.757569798e+00 -6.757569798e+00 2.98 -6.702809000e+00 -6.702809000e+00 3.00 -6.641439926e+00 -6.641439926e+00 3.02 -6.573630002e+00 -6.573630002e+00 3.04 -6.499468458e+00 -6.499468458e+00 3.06 -6.418991146e+00 -6.418991146e+00 3.08 -6.332160138e+00 -6.332160138e+00 3.10 -6.238973522e+00 -6.238973522e+00 3.12 -6.139464226e+00 -6.139464226e+00 3.14 -6.033694783e+00 -6.033694783e+00 3.16 -5.921758852e+00 -5.921758852e+00 3.18 -5.803789277e+00 -5.803789277e+00 3.20 -5.679969928e+00 -5.679969928e+00 3.22 -5.550549235e+00 -5.550549235e+00 3.24 -5.415853020e+00 -5.415853020e+00 3.26 -5.276294422e+00 -5.276294422e+00 3.28 -5.132379006e+00 -5.132379006e+00 3.30 -4.984703542e+00 -4.984703542e+00 3.32 -4.833947609e+00 -4.833947609e+00 3.34 -4.680857984e+00 -4.680857984e+00 3.36 -4.526226721e+00 -4.526226721e+00 3.38 -4.370864643e+00 -4.370864643e+00 3.40 -4.215572527e+00 -4.215572527e+00 3.42 -4.061112549e+00 -4.061112549e+00 3.44 -3.908182155e+00 -3.908182155e+00 3.46 -3.757392482e+00 -3.757392482e+00 3.48 -3.609252465e+00 -3.609252465e+00 3.50 -3.464159331e+00 -3.464159331e+00 3.52 -3.322395575e+00 -3.322395575e+00 3.54 -3.184132003e+00 -3.184132003e+00 3.56 -3.049436168e+00 -3.049436168e+00 3.58 -2.918285354e+00 -2.918285354e+00 3.60 -2.790583277e+00 -2.790583277e+00 3.62 -2.666179619e+00 -2.666179619e+00 3.64 -2.544891513e+00 -2.544891513e+00 3.66 -2.426525906e+00 -2.426525906e+00 3.68 -2.310901575e+00 -2.310901575e+00 3.70 -2.197869389e+00 -2.197869389e+00 3.72 -2.087329409e+00 -2.087329409e+00 3.74 -1.979243519e+00 -1.979243519e+00 3.76 -1.873642568e+00 -1.873642568e+00 3.78 -1.770627412e+00 -1.770627412e+00 3.80 -1.670363728e+00 -1.670363728e+00 3.82 -1.573071047e+00 -1.573071047e+00 3.84 -1.479007001e+00 -1.479007001e+00 3.86 -1.388448268e+00 -1.388448268e+00 3.88 -1.301670052e+00 -1.301670052e+00 3.90 -1.218926061e+00 -1.218926061e+00 3.92 -1.140430777e+00 -1.140430777e+00 3.94 -1.066345675e+00 -1.066345675e+00 3.96 -9.967698748e-01 -9.967698748e-01 3.98 -9.317361498e-01 -9.317361498e-01 4.00 -8.712115620e-01 -8.712115620e-01 4.02 -8.151021936e-01 -8.151021936e-01 4.04 -7.632609215e-01 -7.632609215e-01 4.06 -7.154971092e-01 -7.154971092e-01 4.08 -6.715871408e-01 -6.715871408e-01 4.10 -6.312847931e-01 -6.312847931e-01 4.12 -5.943312907e-01 -5.943312907e-01 4.14 -5.604632071e-01 -5.604632071e-01 4.16 -5.294198801e-01 -5.294198801e-01 4.18 -5.009487983e-01 -5.009487983e-01 4.20 -4.748096446e-01 -4.748096446e-01 4.22 -4.507770388e-01 -4.507770388e-01 4.24 -4.286421773e-01 -4.286421773e-01 4.26 -4.082135757e-01 -4.082135757e-01 4.28 -3.893171176e-01 -3.893171176e-01 4.30 -3.717955900e-01 -3.717955900e-01 4.32 -3.555078607e-01 -3.555078607e-01 4.34 -3.403278248e-01 -3.403278248e-01 4.36 -3.261432218e-01 -3.261432218e-01 4.38 -3.128543958e-01 -3.128543958e-01 4.40 -3.003730605e-01 -3.003730605e-01 4.42 -2.886211040e-01 -2.886211040e-01 4.44 -2.775294111e-01 -2.775294111e-01 4.46 -2.670366800e-01 -2.670366800e-01 4.48 -2.570890504e-01 -2.570890504e-01 4.50 -2.476387890e-01 -2.476387890e-01 4.52 -2.386434752e-01 -2.386434752e-01 4.54 -2.300653442e-01 -2.300653442e-01 4.56 -2.218706958e-01 -2.218706958e-01 4.58 -2.140293668e-01 -2.140293668e-01 4.60 -2.065142671e-01 -2.065142671e-01 4.62 -1.993009739e-01 -1.993009739e-01 4.64 -1.923673800e-01 -1.923673800e-01 4.66 -1.856933942e-01 -1.856933942e-01 4.68 -1.792606888e-01 -1.792606888e-01 4.70 -1.730524913e-01 -1.730524913e-01 4.72 -1.670534205e-01 -1.670534205e-01 4.74 -1.612493620e-01 -1.612493620e-01 4.76 -1.556273849e-01 -1.556273849e-01 4.78 -1.501756965e-01 -1.501756965e-01 4.80 -1.448835914e-01 -1.448835914e-01 4.82 -1.397416509e-01 -1.397416509e-01 4.84 -1.347415217e-01 -1.347415217e-01 4.86 -1.298761780e-01 -1.298761780e-01 4.88 -1.251399494e-01 -1.251399494e-01 4.90 -1.205285914e-01 -1.205285914e-01 4.92 -1.160393281e-01 -1.160393281e-01 4.94 -1.116708483e-01 -1.116708483e-01 4.96 -1.074232313e-01 -1.074232313e-01 4.98 -1.032977944e-01 -1.032977944e-01 5.00 -9.929685261e-02 -9.929685261e-02 5.02 -9.542339378e-02 -9.542339378e-02 5.04 -9.168069080e-02 -9.168069080e-02 5.06 -8.807188028e-02 -8.807188028e-02 5.08 -8.459950626e-02 -8.459950626e-02 5.10 -8.126508268e-02 -8.126508268e-02 5.12 -7.806916942e-02 -7.806916942e-02 5.14 -7.501094989e-02 -7.501094989e-02 5.16 -7.208814078e-02 -7.208814078e-02 5.18 -6.929704868e-02 -6.929704868e-02 5.20 -6.663271748e-02 -6.663271748e-02 5.22 -6.408913867e-02 -6.408913867e-02 5.24 -6.165949426e-02 -6.165949426e-02 5.26 -5.933640534e-02 -5.933640534e-02 5.28 -5.711216471e-02 -5.711216471e-02 5.30 -5.497893957e-02 -5.497893957e-02 5.32 -5.292893744e-02 -5.292893744e-02 5.34 -5.095453245e-02 -5.095453245e-02 5.36 -4.904835677e-02 -4.904835677e-02 5.38 -4.720336253e-02 -4.720336253e-02 5.40 -4.541286050e-02 -4.541286050e-02 5.42 -4.367054299e-02 -4.367054299e-02 5.44 -4.197049803e-02 -4.197049803e-02 5.46 -4.030722093e-02 -4.030722093e-02 5.48 -3.867562850e-02 -3.867562850e-02 5.50 -3.707107986e-02 -3.707107986e-02 5.52 -3.548940702e-02 -3.548940702e-02 5.54 -3.392695635e-02 -3.392695635e-02 5.56 -3.238064357e-02 -3.238064357e-02 5.58 -3.084801731e-02 -3.084801731e-02 5.60 -2.932733050e-02 -2.932733050e-02 5.62 -2.781761522e-02 -2.781761522e-02 5.64 -2.631875388e-02 -2.631875388e-02 5.66 -2.483153846e-02 -2.483153846e-02 5.68 -2.335770838e-02 -2.335770838e-02 5.70 -2.189995692e-02 -2.189995692e-02 5.72 -2.046189686e-02 -2.046189686e-02 5.74 -1.904797802e-02 -1.904797802e-02 5.76 -1.766335043e-02 -1.766335043e-02 5.78 -1.631353750e-02 -1.631353750e-02 5.80 -1.500447003e-02 -1.500447003e-02 5.82 -1.374220950e-02 -1.374220950e-02 5.84 -1.253256700e-02 -1.253256700e-02 5.86 -1.138083647e-02 -1.138083647e-02 5.88 -1.029155657e-02 -1.029155657e-02 5.90 -9.268319337e-03 -9.268319337e-03 5.92 -8.313639179e-03 -8.313639179e-03 5.94 -7.428888867e-03 -7.428888867e-03 5.96 -6.614302267e-03 -6.614302267e-03 5.98 -5.869037123e-03 -5.869037123e-03 6.00 -5.191286411e-03 -5.191286411e-03