# 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 = AuMgPt2 # 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 4.092132885e+02 4.092132885e+02 1.30 3.811531504e+02 3.811531504e+02 1.32 3.550076860e+02 3.550076860e+02 1.34 3.306326204e+02 3.306326204e+02 1.36 3.078969241e+02 3.078969241e+02 1.38 2.866804327e+02 2.866804327e+02 1.40 2.668736231e+02 2.668736231e+02 1.42 2.483784063e+02 2.483784063e+02 1.44 2.311057150e+02 2.311057150e+02 1.46 2.149714233e+02 2.149714233e+02 1.48 1.998950351e+02 1.998950351e+02 1.50 1.858006735e+02 1.858006735e+02 1.52 1.726171516e+02 1.726171516e+02 1.54 1.602767461e+02 1.602767461e+02 1.56 1.487144943e+02 1.487144943e+02 1.58 1.378687496e+02 1.378687496e+02 1.60 1.276823068e+02 1.276823068e+02 1.62 1.181032977e+02 1.181032977e+02 1.64 1.090856518e+02 1.090856518e+02 1.66 1.005892351e+02 1.005892351e+02 1.68 9.257979715e+01 9.257979715e+01 1.70 8.502858619e+01 8.502858619e+01 1.72 7.791186717e+01 7.791186717e+01 1.74 7.121659782e+01 7.121659782e+01 1.76 6.497842209e+01 6.497842209e+01 1.78 5.924064078e+01 5.924064078e+01 1.80 5.396170914e+01 5.396170914e+01 1.82 4.910223903e+01 4.910223903e+01 1.84 4.462717530e+01 4.462717530e+01 1.86 4.050635239e+01 4.050635239e+01 1.88 3.671388009e+01 3.671388009e+01 1.90 3.322671862e+01 3.322671862e+01 1.92 3.002313686e+01 3.002313686e+01 1.94 2.708175307e+01 2.708175307e+01 1.96 2.438145414e+01 2.438145414e+01 1.98 2.190191165e+01 2.190191165e+01 2.00 1.962418831e+01 1.962418831e+01 2.02 1.753108699e+01 1.753108699e+01 2.04 1.560719434e+01 1.560719434e+01 2.06 1.383873506e+01 1.383873506e+01 2.08 1.221335482e+01 1.221335482e+01 2.10 1.071989187e+01 1.071989187e+01 2.12 9.348163608e+00 9.348163608e+00 2.14 8.088793011e+00 8.088793011e+00 2.16 6.933094987e+00 6.933094987e+00 2.18 5.873025150e+00 5.873025150e+00 2.20 4.901170905e+00 4.901170905e+00 2.22 4.010752213e+00 4.010752213e+00 2.24 3.195612697e+00 3.195612697e+00 2.26 2.450193043e+00 2.450193043e+00 2.28 1.769488374e+00 1.769488374e+00 2.30 1.148992044e+00 1.148992044e+00 2.32 5.846298905e-01 5.846298905e-01 2.34 7.268764275e-02 7.268764275e-02 2.36 -3.902643986e-01 -3.902643986e-01 2.38 -8.074444448e-01 -8.074444448e-01 2.40 -1.181924823e+00 -1.181924823e+00 2.42 -1.516684956e+00 -1.516684956e+00 2.44 -1.814646003e+00 -1.814646003e+00 2.46 -2.078687262e+00 -2.078687262e+00 2.48 -2.311646064e+00 -2.311646064e+00 2.50 -2.517552547e+00 -2.517552547e+00 2.52 -2.700811091e+00 -2.700811091e+00 2.54 -2.863242430e+00 -2.863242430e+00 2.56 -3.006627051e+00 -3.006627051e+00 2.58 -3.132682764e+00 -3.132682764e+00 2.60 -3.242995568e+00 -3.242995568e+00 2.62 -3.338968736e+00 -3.338968736e+00 2.64 -3.421800823e+00 -3.421800823e+00 2.66 -3.492489907e+00 -3.492489907e+00 2.68 -3.551859145e+00 -3.551859145e+00 2.70 -3.600590557e+00 -3.600590557e+00 2.72 -3.639259461e+00 -3.639259461e+00 2.74 -3.668364133e+00 -3.668364133e+00 2.76 -3.688348814e+00 -3.688348814e+00 2.78 -3.699622975e+00 -3.699622975e+00 2.80 -3.702624094e+00 -3.702624094e+00 2.82 -3.697703247e+00 -3.697703247e+00 2.84 -3.685186009e+00 -3.685186009e+00 2.86 -3.665423998e+00 -3.665423998e+00 2.88 -3.638811613e+00 -3.638811613e+00 2.90 -3.605804865e+00 -3.605804865e+00 2.92 -3.566938424e+00 -3.566938424e+00 2.94 -3.522835270e+00 -3.522835270e+00 2.96 -3.474203118e+00 -3.474203118e+00 2.98 -3.421813641e+00 -3.421813641e+00 3.00 -3.366462523e+00 -3.366462523e+00 3.02 -3.308923193e+00 -3.308923193e+00 3.04 -3.249901417e+00 -3.249901417e+00 3.06 -3.189997535e+00 -3.189997535e+00 3.08 -3.129684119e+00 -3.129684119e+00 3.10 -3.069303321e+00 -3.069303321e+00 3.12 -3.009078528e+00 -3.009078528e+00 3.14 -2.949136804e+00 -2.949136804e+00 3.16 -2.889532240e+00 -2.889532240e+00 3.18 -2.830270931e+00 -2.830270931e+00 3.20 -2.771330879e+00 -2.771330879e+00 3.22 -2.712677619e+00 -2.712677619e+00 3.24 -2.654275445e+00 -2.654275445e+00 3.26 -2.596094863e+00 -2.596094863e+00 3.28 -2.538117047e+00 -2.538117047e+00 3.30 -2.480338437e+00 -2.480338437e+00 3.32 -2.422833179e+00 -2.422833179e+00 3.34 -2.365741007e+00 -2.365741007e+00 3.36 -2.309188125e+00 -2.309188125e+00 3.38 -2.253285806e+00 -2.253285806e+00 3.40 -2.198132218e+00 -2.198132218e+00 3.42 -2.143813886e+00 -2.143813886e+00 3.44 -2.090406450e+00 -2.090406450e+00 3.46 -2.037975532e+00 -2.037975532e+00 3.48 -1.986577168e+00 -1.986577168e+00 3.50 -1.936258073e+00 -1.936258073e+00 3.52 -1.887065934e+00 -1.887065934e+00 3.54 -1.839030775e+00 -1.839030775e+00 3.56 -1.792162330e+00 -1.792162330e+00 3.58 -1.746463516e+00 -1.746463516e+00 3.60 -1.701930430e+00 -1.701930430e+00 3.62 -1.658552511e+00 -1.658552511e+00 3.64 -1.616312817e+00 -1.616312817e+00 3.66 -1.575188436e+00 -1.575188436e+00 3.68 -1.535151007e+00 -1.535151007e+00 3.70 -1.496167374e+00 -1.496167374e+00 3.72 -1.458198500e+00 -1.458198500e+00 3.74 -1.421190394e+00 -1.421190394e+00 3.76 -1.385083549e+00 -1.385083549e+00 3.78 -1.349820243e+00 -1.349820243e+00 3.80 -1.315345090e+00 -1.315345090e+00 3.82 -1.281605647e+00 -1.281605647e+00 3.84 -1.248552948e+00 -1.248552948e+00 3.86 -1.216141929e+00 -1.216141929e+00 3.88 -1.184331715e+00 -1.184331715e+00 3.90 -1.153085785e+00 -1.153085785e+00 3.92 -1.122371964e+00 -1.122371964e+00 3.94 -1.092162822e+00 -1.092162822e+00 3.96 -1.062435194e+00 -1.062435194e+00 3.98 -1.033170757e+00 -1.033170757e+00 4.00 -1.004356208e+00 -1.004356208e+00 4.02 -9.759836740e-01 -9.759836740e-01 4.04 -9.480511697e-01 -9.480511697e-01 4.06 -9.205630209e-01 -9.205630209e-01 4.08 -8.935301289e-01 -8.935301289e-01 4.10 -8.669697691e-01 -8.669697691e-01 4.12 -8.409057811e-01 -8.409057811e-01 4.14 -8.153664740e-01 -8.153664740e-01 4.16 -7.903837935e-01 -7.903837935e-01 4.18 -7.659910118e-01 -7.659910118e-01 4.20 -7.422202772e-01 -7.422202772e-01 4.22 -7.191000620e-01 -7.191000620e-01 4.24 -6.966527933e-01 -6.966527933e-01 4.26 -6.748929306e-01 -6.748929306e-01 4.28 -6.538256793e-01 -6.538256793e-01 4.30 -6.334464153e-01 -6.334464153e-01 4.32 -6.137407813e-01 -6.137407813e-01 4.34 -5.946853249e-01 -5.946853249e-01 4.36 -5.762484995e-01 -5.762484995e-01 4.38 -5.583918521e-01 -5.583918521e-01 4.40 -5.410712529e-01 -5.410712529e-01 4.42 -5.242380710e-01 -5.242380710e-01 4.44 -5.078402504e-01 -5.078402504e-01 4.46 -4.918232766e-01 -4.918232766e-01 4.48 -4.761310513e-01 -4.761310513e-01 4.50 -4.607067042e-01 -4.607067042e-01 4.52 -4.454933794e-01 -4.454933794e-01 4.54 -4.304350361e-01 -4.304350361e-01 4.56 -4.154773047e-01 -4.154773047e-01 4.58 -4.005684385e-01 -4.005684385e-01 4.60 -3.856603960e-01 -3.856603960e-01 4.62 -3.707100804e-01 -3.707100804e-01 4.64 -3.556807471e-01 -3.556807471e-01 4.66 -3.405435622e-01 -3.405435622e-01 4.68 -3.252792684e-01 -3.252792684e-01 4.70 -3.098798708e-01 -3.098798708e-01 4.72 -2.943502182e-01 -2.943502182e-01 4.74 -2.787093153e-01 -2.787093153e-01 4.76 -2.629911754e-01 -2.629911754e-01 4.78 -2.472450166e-01 -2.472450166e-01 4.80 -2.315344511e-01 -2.315344511e-01 4.82 -2.159366422e-01 -2.159366422e-01 4.84 -2.005385921e-01 -2.005385921e-01 4.86 -1.854345065e-01 -1.854345065e-01 4.88 -1.707214577e-01 -1.707214577e-01 4.90 -1.564948920e-01 -1.564948920e-01 4.92 -1.428441501e-01 -1.428441501e-01 4.94 -1.298483914e-01 -1.298483914e-01 4.96 -1.175732724e-01 -1.175732724e-01 4.98 -1.060686273e-01 -1.060686273e-01 5.00 -9.536727639e-02 -9.536727639e-02 5.02 -8.548495026e-02 -8.548495026e-02 5.04 -7.642120362e-02 -7.642120362e-02 5.06 -6.816110856e-02 -6.816110856e-02 5.08 -6.067747673e-02 -6.067747673e-02 5.10 -5.393335713e-02 -5.393335713e-02 5.12 -4.788458438e-02 -4.788458438e-02 5.14 -4.248219917e-02 -4.248219917e-02 5.16 -3.767461738e-02 -3.767461738e-02 5.18 -3.340947413e-02 -3.340947413e-02 5.20 -2.963509680e-02 -2.963509680e-02 5.22 -2.630166590e-02 -2.630166590e-02 5.24 -2.336203541e-02 -2.336203541e-02 5.26 -2.077203844e-02 -2.077203844e-02 5.28 -1.849049202e-02 -1.849049202e-02 5.30 -1.648134566e-02 -1.648134566e-02 5.32 -1.471190197e-02 -1.471190197e-02 5.34 -1.315270467e-02 -1.315270467e-02 5.36 -1.177770596e-02 -1.177770596e-02 5.38 -1.056386275e-02 -1.056386275e-02 5.40 -9.490931700e-03 -9.490931700e-03 5.42 -8.541300827e-03 -8.541300827e-03 5.44 -7.699766834e-03 -7.699766834e-03 5.46 -6.952956087e-03 -6.952956087e-03 5.48 -6.289301944e-03 -6.289301944e-03 5.50 -5.698817239e-03 -5.698817239e-03 5.52 -5.172868989e-03 -5.172868989e-03 5.54 -4.703975320e-03 -4.703975320e-03 5.56 -4.285626464e-03 -4.285626464e-03 5.58 -3.912130503e-03 -3.912130503e-03 5.60 -3.578483397e-03 -3.578483397e-03 5.62 -3.280261800e-03 -3.280261800e-03 5.64 -3.013536310e-03 -3.013536310e-03 5.66 -2.774802261e-03 -2.774802261e-03 5.68 -2.560924892e-03 -2.560924892e-03 5.70 -2.369095805e-03 -2.369095805e-03 5.72 -2.196797917e-03 -2.196797917e-03 5.74 -2.041776533e-03 -2.041776533e-03 5.76 -1.902014724e-03 -1.902014724e-03 5.78 -1.775711641e-03 -1.775711641e-03 5.80 -1.661262889e-03 -1.661262889e-03 5.82 -1.557242392e-03 -1.557242392e-03 5.84 -1.462385457e-03 -1.462385457e-03 5.86 -1.375572914e-03 -1.375572914e-03 5.88 -1.295816300e-03 -1.295816300e-03 5.90 -1.222244128e-03 -1.222244128e-03 5.92 -1.154089259e-03 -1.154089259e-03 5.94 -1.090677426e-03 -1.090677426e-03 5.96 -1.031416917e-03 -1.031416917e-03 5.98 -9.757894110e-04 -9.757894110e-04 6.00 -9.233419422e-04 -9.233419422e-04