# 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 = CuMgTi2 # 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 2.638326222e+02 2.638326222e+02 1.30 2.441775671e+02 2.441775671e+02 1.32 2.260092051e+02 2.260092051e+02 1.34 2.092054199e+02 2.092054199e+02 1.36 1.936553560e+02 1.936553560e+02 1.38 1.792591152e+02 1.792591152e+02 1.40 1.659260117e+02 1.659260117e+02 1.42 1.535729036e+02 1.535729036e+02 1.44 1.421235520e+02 1.421235520e+02 1.46 1.315084985e+02 1.315084985e+02 1.48 1.216644844e+02 1.216644844e+02 1.50 1.125334217e+02 1.125334217e+02 1.52 1.040615499e+02 1.040615499e+02 1.54 9.619903515e+01 9.619903515e+01 1.56 8.889989651e+01 8.889989651e+01 1.58 8.212201933e+01 8.212201933e+01 1.60 7.582706086e+01 7.582706086e+01 1.62 6.998021280e+01 6.998021280e+01 1.64 6.454982526e+01 6.454982526e+01 1.66 5.950684584e+01 5.950684584e+01 1.68 5.482416791e+01 5.482416791e+01 1.70 5.047618935e+01 5.047618935e+01 1.72 4.643903857e+01 4.643903857e+01 1.74 4.269018529e+01 4.269018529e+01 1.76 3.920865366e+01 3.920865366e+01 1.78 3.597509867e+01 3.597509867e+01 1.80 3.297195145e+01 3.297195145e+01 1.82 3.018303277e+01 3.018303277e+01 1.84 2.759340728e+01 2.759340728e+01 1.86 2.518925755e+01 2.518925755e+01 1.88 2.295773384e+01 2.295773384e+01 1.90 2.088680069e+01 2.088680069e+01 1.92 1.896511648e+01 1.896511648e+01 1.94 1.718199147e+01 1.718199147e+01 1.96 1.552743642e+01 1.552743642e+01 1.98 1.399225506e+01 1.399225506e+01 2.00 1.256808396e+01 1.256808396e+01 2.02 1.124732375e+01 1.124732375e+01 2.04 1.002299779e+01 1.002299779e+01 2.06 8.888619279e+00 8.888619279e+00 2.08 7.838120278e+00 7.838120278e+00 2.10 6.865839337e+00 6.865839337e+00 2.12 5.966526057e+00 5.966526057e+00 2.14 5.135325961e+00 5.135325961e+00 2.16 4.367737644e+00 4.367737644e+00 2.18 3.659551095e+00 3.659551095e+00 2.20 3.006784318e+00 3.006784318e+00 2.22 2.405627338e+00 2.405627338e+00 2.24 1.852405504e+00 1.852405504e+00 2.26 1.343567306e+00 1.343567306e+00 2.28 8.756958019e-01 8.756958019e-01 2.30 4.455416255e-01 4.455416255e-01 2.32 5.006255181e-02 5.006255181e-02 2.34 -3.135308807e-01 -3.135308807e-01 2.36 -6.477433992e-01 -6.477433992e-01 2.38 -9.547846914e-01 -9.547846914e-01 2.40 -1.236589997e+00 -1.236589997e+00 2.42 -1.494866081e+00 -1.494866081e+00 2.44 -1.731146111e+00 -1.731146111e+00 2.46 -1.946840433e+00 -1.946840433e+00 2.48 -2.143272928e+00 -2.143272928e+00 2.50 -2.321701863e+00 -2.321701863e+00 2.52 -2.483327560e+00 -2.483327560e+00 2.54 -2.629356345e+00 -2.629356345e+00 2.56 -2.760897910e+00 -2.760897910e+00 2.58 -2.878844251e+00 -2.878844251e+00 2.60 -2.984049361e+00 -2.984049361e+00 2.62 -3.077330851e+00 -3.077330851e+00 2.64 -3.159474318e+00 -3.159474318e+00 2.66 -3.231237328e+00 -3.231237328e+00 2.68 -3.293354671e+00 -3.293354671e+00 2.70 -3.346492870e+00 -3.346492870e+00 2.72 -3.391122443e+00 -3.391122443e+00 2.74 -3.427687276e+00 -3.427687276e+00 2.76 -3.456642732e+00 -3.456642732e+00 2.78 -3.478575362e+00 -3.478575362e+00 2.80 -3.493964153e+00 -3.493964153e+00 2.82 -3.503026156e+00 -3.503026156e+00 2.84 -3.506004010e+00 -3.506004010e+00 2.86 -3.503165026e+00 -3.503165026e+00 2.88 -3.494800686e+00 -3.494800686e+00 2.90 -3.481226008e+00 -3.481226008e+00 2.92 -3.462777608e+00 -3.462777608e+00 2.94 -3.439810896e+00 -3.439810896e+00 2.96 -3.412709755e+00 -3.412709755e+00 2.98 -3.381878608e+00 -3.381878608e+00 3.00 -3.347723741e+00 -3.347723741e+00 3.02 -3.310648299e+00 -3.310648299e+00 3.04 -3.271045146e+00 -3.271045146e+00 3.06 -3.229287866e+00 -3.229287866e+00 3.08 -3.185717875e+00 -3.185717875e+00 3.10 -3.140635495e+00 -3.140635495e+00 3.12 -3.094293667e+00 -3.094293667e+00 3.14 -3.046898835e+00 -3.046898835e+00 3.16 -2.998613978e+00 -2.998613978e+00 3.18 -2.949567526e+00 -2.949567526e+00 3.20 -2.899861570e+00 -2.899861570e+00 3.22 -2.849579674e+00 -2.849579674e+00 3.24 -2.798793225e+00 -2.798793225e+00 3.26 -2.747566195e+00 -2.747566195e+00 3.28 -2.695958485e+00 -2.695958485e+00 3.30 -2.644028116e+00 -2.644028116e+00 3.32 -2.591832536e+00 -2.591832536e+00 3.34 -2.539429336e+00 -2.539429336e+00 3.36 -2.486876694e+00 -2.486876694e+00 3.38 -2.434233872e+00 -2.434233872e+00 3.40 -2.381563326e+00 -2.381563326e+00 3.42 -2.328944615e+00 -2.328944615e+00 3.44 -2.276438655e+00 -2.276438655e+00 3.46 -2.224108236e+00 -2.224108236e+00 3.48 -2.172026884e+00 -2.172026884e+00 3.50 -2.120279255e+00 -2.120279255e+00 3.52 -2.068960237e+00 -2.068960237e+00 3.54 -2.018172278e+00 -2.018172278e+00 3.56 -1.968020807e+00 -1.968020807e+00 3.58 -1.918607901e+00 -1.918607901e+00 3.60 -1.870015366e+00 -1.870015366e+00 3.62 -1.822293671e+00 -1.822293671e+00 3.64 -1.775476515e+00 -1.775476515e+00 3.66 -1.729580413e+00 -1.729580413e+00 3.68 -1.684605384e+00 -1.684605384e+00 3.70 -1.640537851e+00 -1.640537851e+00 3.72 -1.597354871e+00 -1.597354871e+00 3.74 -1.555028776e+00 -1.555028776e+00 3.76 -1.513531478e+00 -1.513531478e+00 3.78 -1.472837953e+00 -1.472837953e+00 3.80 -1.432928642e+00 -1.432928642e+00 3.82 -1.393790720e+00 -1.393790720e+00 3.84 -1.355418265e+00 -1.355418265e+00 3.86 -1.317811475e+00 -1.317811475e+00 3.88 -1.280975150e+00 -1.280975150e+00 3.90 -1.244916718e+00 -1.244916718e+00 3.92 -1.209643969e+00 -1.209643969e+00 3.94 -1.175163632e+00 -1.175163632e+00 3.96 -1.141478888e+00 -1.141478888e+00 3.98 -1.108588924e+00 -1.108588924e+00 4.00 -1.076488249e+00 -1.076488249e+00 4.02 -1.045166694e+00 -1.045166694e+00 4.04 -1.014609782e+00 -1.014609782e+00 4.06 -9.847993560e-01 -9.847993560e-01 4.08 -9.557143208e-01 -9.557143208e-01 4.10 -9.273309839e-01 -9.273309839e-01 4.12 -8.996255623e-01 -8.996255623e-01 4.14 -8.725720398e-01 -8.725720398e-01 4.16 -8.461447603e-01 -8.461447603e-01 4.18 -8.203184691e-01 -8.203184691e-01 4.20 -7.950688676e-01 -7.950688676e-01 4.22 -7.703731759e-01 -7.703731759e-01 4.24 -7.462107171e-01 -7.462107171e-01 4.26 -7.225635226e-01 -7.225635226e-01 4.28 -6.994169434e-01 -6.994169434e-01 4.30 -6.767602272e-01 -6.767602272e-01 4.32 -6.545870079e-01 -6.545870079e-01 4.34 -6.328956353e-01 -6.328956353e-01 4.36 -6.116892679e-01 -6.116892679e-01 4.38 -5.909756592e-01 -5.909756592e-01 4.40 -5.707665891e-01 -5.707665891e-01 4.42 -5.510769316e-01 -5.510769316e-01 4.44 -5.319233962e-01 -5.319233962e-01 4.46 -5.133230371e-01 -5.133230371e-01 4.48 -4.952916639e-01 -4.952916639e-01 4.50 -4.778423122e-01 -4.778423122e-01 4.52 -4.609839327e-01 -4.609839327e-01 4.54 -4.447204234e-01 -4.447204234e-01 4.56 -4.290500841e-01 -4.290500841e-01 4.58 -4.139655080e-01 -4.139655080e-01 4.60 -3.994538740e-01 -3.994538740e-01 4.62 -3.854975589e-01 -3.854975589e-01 4.64 -3.720749672e-01 -3.720749672e-01 4.66 -3.591614730e-01 -3.591614730e-01 4.68 -3.467303836e-01 -3.467303836e-01 4.70 -3.347538527e-01 -3.347538527e-01 4.72 -3.232037012e-01 -3.232037012e-01 4.74 -3.120521219e-01 -3.120521219e-01 4.76 -3.012722694e-01 -3.012722694e-01 4.78 -2.908387439e-01 -2.908387439e-01 4.80 -2.807277273e-01 -2.807277273e-01 4.82 -2.709183948e-01 -2.709183948e-01 4.84 -2.613914874e-01 -2.613914874e-01 4.86 -2.521307313e-01 -2.521307313e-01 4.88 -2.431227076e-01 -2.431227076e-01 4.90 -2.343569795e-01 -2.343569795e-01 4.92 -2.258261461e-01 -2.258261461e-01 4.94 -2.175257950e-01 -2.175257950e-01 4.96 -2.094543296e-01 -2.094543296e-01 4.98 -2.016126496e-01 -2.016126496e-01 5.00 -1.940036784e-01 -1.940036784e-01 5.02 -1.866317479e-01 -1.866317479e-01 5.04 -1.795018756e-01 -1.795018756e-01 5.06 -1.726189903e-01 -1.726189903e-01 5.08 -1.659871738e-01 -1.659871738e-01 5.10 -1.596089915e-01 -1.596089915e-01 5.12 -1.534849748e-01 -1.534849748e-01 5.14 -1.476132976e-01 -1.476132976e-01 5.16 -1.419896604e-01 -1.419896604e-01 5.18 -1.366073717e-01 -1.366073717e-01 5.20 -1.314575902e-01 -1.314575902e-01 5.22 -1.265296824e-01 -1.265296824e-01 5.24 -1.218116416e-01 -1.218116416e-01 5.26 -1.172905213e-01 -1.172905213e-01 5.28 -1.129528438e-01 -1.129528438e-01 5.30 -1.087849605e-01 -1.087849605e-01 5.32 -1.047733469e-01 -1.047733469e-01 5.34 -1.009048309e-01 -1.009048309e-01 5.36 -9.716675619e-02 -9.716675619e-02 5.38 -9.354709037e-02 -9.354709037e-02 5.40 -9.003448398e-02 -9.003448398e-02 5.42 -8.661824274e-02 -8.661824274e-02 5.44 -8.328846028e-02 -8.328846028e-02 5.46 -8.003597744e-02 -8.003597744e-02 5.48 -7.685234888e-02 -7.685234888e-02 5.50 -7.372985136e-02 -7.372985136e-02 5.52 -7.066150740e-02 -7.066150740e-02 5.54 -6.764113009e-02 -6.764113009e-02 5.56 -6.466339178e-02 -6.466339178e-02 5.58 -6.172391675e-02 -6.172391675e-02 5.60 -5.881939410e-02 -5.881939410e-02 5.62 -5.594770327e-02 -5.594770327e-02 5.64 -5.310804092e-02 -5.310804092e-02 5.66 -5.030103405e-02 -5.030103405e-02 5.68 -4.752882204e-02 -4.752882204e-02 5.70 -4.479508918e-02 -4.479508918e-02 5.72 -4.210503029e-02 -4.210503029e-02 5.74 -3.946523566e-02 -3.946523566e-02 5.76 -3.688348785e-02 -3.688348785e-02 5.78 -3.436847426e-02 -3.436847426e-02 5.80 -3.192941279e-02 -3.192941279e-02 5.82 -2.957563003e-02 -2.957563003e-02 5.84 -2.731611449e-02 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