# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2CuPt # 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 2026-08-31 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 5.546659410e+06 5.546659410e+06 0.88 5.067787846e+06 5.067787846e+06 0.90 4.631268763e+06 4.631268763e+06 0.92 4.232623699e+06 4.232623699e+06 0.94 3.867892408e+06 3.867892408e+06 0.96 3.533618909e+06 3.533618909e+06 0.98 3.226702663e+06 3.226702663e+06 1.00 2.944464262e+06 2.944464262e+06 1.02 2.684517280e+06 2.684517280e+06 1.04 2.444769514e+06 2.444769514e+06 1.06 2.223346316e+06 2.223346316e+06 1.08 2.018572273e+06 2.018572273e+06 1.10 1.828939388e+06 1.828939388e+06 1.12 1.653127331e+06 1.653127331e+06 1.14 1.489940948e+06 1.489940948e+06 1.16 1.338283410e+06 1.338283410e+06 1.18 1.197185514e+06 1.197185514e+06 1.20 1.065785576e+06 1.065785576e+06 1.22 9.432878805e+05 9.432878805e+05 1.24 8.289756938e+05 8.289756938e+05 1.26 7.222132660e+05 7.222132660e+05 1.28 6.224197262e+05 6.224197262e+05 1.30 5.290554605e+05 5.290554605e+05 1.32 4.417826613e+05 4.417826613e+05 1.34 3.624640159e+05 3.624640159e+05 1.36 2.910720986e+05 2.910720986e+05 1.38 2.314951777e+05 2.314951777e+05 1.40 1.842932323e+05 1.842932323e+05 1.42 1.468874506e+05 1.468874506e+05 1.44 1.172023539e+05 1.172023539e+05 1.46 9.361153711e+04 9.361153711e+04 1.48 7.483757201e+04 7.483757201e+04 1.50 5.987688177e+04 5.987688177e+04 1.52 4.794153565e+04 4.794153565e+04 1.54 3.841070633e+04 3.841070633e+04 1.56 3.079263253e+04 3.079263253e+04 1.58 2.469794549e+04 2.469794549e+04 1.60 1.981820836e+04 1.981820836e+04 1.62 1.590844659e+04 1.590844659e+04 1.64 1.277388523e+04 1.277388523e+04 1.66 1.025906889e+04 1.025906889e+04 1.68 8.239966148e+03 8.239966148e+03 1.70 6.618166177e+03 6.618166177e+03 1.72 5.315214910e+03 5.315214910e+03 1.74 4.268229171e+03 4.268229171e+03 1.76 3.426790392e+03 3.426790392e+03 1.78 2.750474030e+03 2.750474030e+03 1.80 2.206851342e+03 2.206851342e+03 1.82 1.769922253e+03 1.769922253e+03 1.84 1.418786149e+03 1.418786149e+03 1.86 1.136666422e+03 1.136666422e+03 1.88 9.100652060e+02 9.100652060e+02 1.90 7.280916115e+02 7.280916115e+02 1.92 5.820068959e+02 5.820068959e+02 1.94 4.647847215e+02 4.647847215e+02 1.96 3.707643117e+02 3.707643117e+02 1.98 2.954005625e+02 2.954005625e+02 2.00 2.350226988e+02 2.350226988e+02 2.02 1.866716714e+02 1.866716714e+02 2.04 1.479833829e+02 1.479833829e+02 2.06 1.170543336e+02 1.170543336e+02 2.08 9.235076862e+01 9.235076862e+01 2.10 7.263751629e+01 7.263751629e+01 2.12 5.691959548e+01 5.691959548e+01 2.14 4.439801265e+01 4.439801265e+01 2.16 3.443099075e+01 3.443099075e+01 2.18 2.650240475e+01 2.650240475e+01 2.20 2.019842501e+01 2.019842501e+01 2.22 1.518821664e+01 1.518821664e+01 2.24 1.120806504e+01 1.120806504e+01 2.26 8.046470858e+00 8.046470858e+00 2.28 5.534923604e+00 5.534923604e+00 2.30 3.539231400e+00 3.539231400e+00 2.32 1.952432821e+00 1.952432821e+00 2.34 6.894341007e-01 6.894341007e-01 2.36 -3.173292736e-01 -3.173292736e-01 2.38 -1.121382836e+00 -1.121382836e+00 2.40 -1.765031504e+00 -1.765031504e+00 2.42 -2.281644633e+00 -2.281644633e+00 2.44 -2.697482853e+00 -2.697482853e+00 2.46 -3.033176464e+00 -3.033176464e+00 2.48 -3.304871706e+00 -3.304871706e+00 2.50 -3.525182757e+00 -3.525182757e+00 2.52 -3.703947434e+00 -3.703947434e+00 2.54 -3.848838501e+00 -3.848838501e+00 2.56 -3.965836773e+00 -3.965836773e+00 2.58 -4.059605149e+00 -4.059605149e+00 2.60 -4.133785184e+00 -4.133785184e+00 2.62 -4.191217022e+00 -4.191217022e+00 2.64 -4.234124014e+00 -4.234124014e+00 2.66 -4.264281013e+00 -4.264281013e+00 2.68 -4.283115397e+00 -4.283115397e+00 2.70 -4.291791961e+00 -4.291791961e+00 2.72 -4.291274960e+00 -4.291274960e+00 2.74 -4.282376775e+00 -4.282376775e+00 2.76 -4.265808107e+00 -4.265808107e+00 2.78 -4.242198689e+00 -4.242198689e+00 2.80 -4.212117867e+00 -4.212117867e+00 2.82 -4.176089000e+00 -4.176089000e+00 2.84 -4.134573095e+00 -4.134573095e+00 2.86 -4.087999238e+00 -4.087999238e+00 2.88 -4.036802464e+00 -4.036802464e+00 2.90 -3.981401369e+00 -3.981401369e+00 2.92 -3.922199125e+00 -3.922199125e+00 2.94 -3.859584620e+00 -3.859584620e+00 2.96 -3.793870066e+00 -3.793870066e+00 2.98 -3.725348181e+00 -3.725348181e+00 3.00 -3.654361149e+00 -3.654361149e+00 3.02 -3.581237237e+00 -3.581237237e+00 3.04 -3.506290511e+00 -3.506290511e+00 3.06 -3.429813438e+00 -3.429813438e+00 3.08 -3.352050724e+00 -3.352050724e+00 3.10 -3.273264754e+00 -3.273264754e+00 3.12 -3.193708964e+00 -3.193708964e+00 3.14 -3.113621794e+00 -3.113621794e+00 3.16 -3.033226754e+00 -3.033226754e+00 3.18 -2.952732571e+00 -2.952732571e+00 3.20 -2.872333411e+00 -2.872333411e+00 3.22 -2.792209164e+00 -2.792209164e+00 3.24 -2.712525801e+00 -2.712525801e+00 3.26 -2.633435777e+00 -2.633435777e+00 3.28 -2.555078481e+00 -2.555078481e+00 3.30 -2.477580724e+00 -2.477580724e+00 3.32 -2.401055022e+00 -2.401055022e+00 3.34 -2.325578553e+00 -2.325578553e+00 3.36 -2.251236344e+00 -2.251236344e+00 3.38 -2.178110649e+00 -2.178110649e+00 3.40 -2.106273999e+00 -2.106273999e+00 3.42 -2.035789761e+00 -2.035789761e+00 3.44 -1.966712683e+00 -1.966712683e+00 3.46 -1.899072777e+00 -1.899072777e+00 3.48 -1.832845244e+00 -1.832845244e+00 3.50 -1.768057017e+00 -1.768057017e+00 3.52 -1.704735174e+00 -1.704735174e+00 3.54 -1.642900949e+00 -1.642900949e+00 3.56 -1.582570175e+00 -1.582570175e+00 3.58 -1.523753701e+00 -1.523753701e+00 3.60 -1.466457793e+00 -1.466457793e+00 3.62 -1.410684518e+00 -1.410684518e+00 3.64 -1.356432106e+00 -1.356432106e+00 3.66 -1.303695293e+00 -1.303695293e+00 3.68 -1.252465648e+00 -1.252465648e+00 3.70 -1.202731877e+00 -1.202731877e+00 3.72 -1.154480114e+00 -1.154480114e+00 3.74 -1.107694188e+00 -1.107694188e+00 3.76 -1.062355877e+00 -1.062355877e+00 3.78 -1.018445144e+00 -1.018445144e+00 3.80 -9.759403560e-01 -9.759403560e-01 3.82 -9.348184904e-01 -9.348184904e-01 3.84 -8.950553218e-01 -8.950553218e-01 3.86 -8.566255992e-01 -8.566255992e-01 3.88 -8.195032071e-01 -8.195032071e-01 3.90 -7.836613154e-01 -7.836613154e-01 3.92 -7.490725161e-01 -7.490725161e-01 3.94 -7.157089492e-01 -7.157089492e-01 3.96 -6.835424183e-01 -6.835424183e-01 3.98 -6.525444950e-01 -6.525444950e-01 4.00 -6.226866152e-01 -6.226866152e-01 4.02 -5.939401656e-01 -5.939401656e-01 4.04 -5.662765621e-01 -5.662765621e-01 4.06 -5.396673211e-01 -5.396673211e-01 4.08 -5.140841227e-01 -5.140841227e-01 4.10 -4.894988681e-01 -4.894988681e-01 4.12 -4.658837300e-01 -4.658837300e-01 4.14 -4.432111982e-01 -4.432111982e-01 4.16 -4.214541189e-01 -4.214541189e-01 4.18 -4.005857297e-01 -4.005857297e-01 4.20 -3.805796900e-01 -3.805796900e-01 4.22 -3.614101070e-01 -3.614101070e-01 4.24 -3.430515585e-01 -3.430515585e-01 4.26 -3.254791110e-01 -3.254791110e-01 4.28 -3.086683360e-01 -3.086683360e-01 4.30 -2.925953224e-01 -2.925953224e-01 4.32 -2.772339405e-01 -2.772339405e-01 4.34 -2.625307594e-01 -2.625307594e-01 4.36 -2.484560331e-01 -2.484560331e-01 4.38 -2.349893332e-01 -2.349893332e-01 4.40 -2.221107513e-01 -2.221107513e-01 4.42 -2.098008983e-01 -2.098008983e-01 4.44 -1.980409018e-01 -1.980409018e-01 4.46 -1.868124025e-01 -1.868124025e-01 4.48 -1.760975495e-01 -1.760975495e-01 4.50 -1.658789952e-01 -1.658789952e-01 4.52 -1.561398890e-01 -1.561398890e-01 4.54 -1.468638699e-01 -1.468638699e-01 4.56 -1.380350595e-01 -1.380350595e-01 4.58 -1.296380536e-01 -1.296380536e-01 4.60 -1.216579140e-01 -1.216579140e-01 4.62 -1.140801593e-01 -1.140801593e-01 4.64 -1.068907567e-01 -1.068907567e-01 4.66 -1.000761113e-01 -1.000761113e-01 4.68 -9.362305542e-02 -9.362305542e-02 4.70 -8.751611004e-02 -8.751611004e-02 4.72 -8.173626950e-02 -8.173626950e-02 4.74 -7.627170631e-02 -7.627170631e-02 4.76 -7.111129759e-02 -7.111129759e-02 4.78 -6.624392449e-02 -6.624392449e-02 4.80 -6.165921898e-02 -6.165921898e-02 4.82 -5.734735766e-02 -5.734735766e-02 4.84 -5.329875708e-02 -5.329875708e-02 4.86 -4.950408985e-02 -4.950408985e-02 4.88 -4.595359750e-02 -4.595359750e-02 4.90 -4.261839886e-02 -4.261839886e-02 4.92 -3.948165753e-02 -3.948165753e-02 4.94 -3.653633895e-02 -3.653633895e-02 4.96 -3.377563857e-02 -3.377563857e-02 4.98 -3.119297903e-02 -3.119297903e-02 5.00 -2.876515448e-02 -2.876515448e-02 5.02 -2.646995133e-02 -2.646995133e-02 5.04 -2.430257388e-02 -2.430257388e-02 5.06 -2.225839365e-02 -2.225839365e-02 5.08 -2.033294408e-02 -2.033294408e-02 5.10 -1.852191540e-02 -1.852191540e-02 5.12 -1.682114961e-02 -1.682114961e-02 5.14 -1.522648747e-02 -1.522648747e-02 5.16 -1.373384860e-02 -1.373384860e-02 5.18 -1.233966644e-02 -1.233966644e-02 5.20 -1.104047364e-02 -1.104047364e-02 5.22 -9.832893100e-03 -9.832893100e-03 5.24 -8.713641189e-03 -8.713641189e-03 5.26 -7.679529881e-03 -7.679529881e-03 5.28 -6.727468008e-03 -6.727468008e-03 5.30 -5.854461744e-03 -5.854461744e-03 5.32 -5.057614454e-03 -5.057614454e-03 5.34 -4.334126003e-03 -4.334126003e-03 5.36 -3.681291631e-03 -3.681291631e-03 5.38 -3.096500453e-03 -3.096500453e-03 5.40 -2.577233679e-03 -2.577233679e-03 5.42 -2.119624297e-03 -2.119624297e-03 5.44 -1.712889401e-03 -1.712889401e-03 5.46 -1.353803645e-03 -1.353803645e-03 5.48 -1.040663135e-03 -1.040663135e-03 5.50 -7.718242267e-04 -7.718242267e-04 5.52 -5.457018532e-04 -5.457018532e-04 5.54 -3.607677904e-04 -3.607677904e-04 5.56 -2.155488875e-04 -2.155488875e-04 5.58 -1.086252757e-04 -1.086252757e-04 5.60 -3.862857246e-05 -3.862857246e-05 5.62 -4.240092673e-06 -4.240092673e-06 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00