# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = GaInN2 # 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 2024-11-27 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 2.359469836e+03 2.359469836e+03 1.26 2.079036891e+03 2.079036891e+03 1.28 1.838218220e+03 1.838218220e+03 1.30 1.630059661e+03 1.630059661e+03 1.32 1.447131817e+03 1.447131817e+03 1.34 1.285284852e+03 1.285284852e+03 1.36 1.141538173e+03 1.141538173e+03 1.38 1.013490362e+03 1.013490362e+03 1.40 9.000822181e+02 9.000822181e+02 1.42 8.008636836e+02 8.008636836e+02 1.44 7.143382562e+02 7.143382562e+02 1.46 6.384631004e+02 6.384631004e+02 1.48 5.716404178e+02 5.716404178e+02 1.50 5.126847790e+02 5.126847790e+02 1.52 4.605989408e+02 4.605989408e+02 1.54 4.144846654e+02 4.144846654e+02 1.56 3.734461299e+02 3.734461299e+02 1.58 3.365851135e+02 3.365851135e+02 1.60 3.033393874e+02 3.033393874e+02 1.62 2.737242891e+02 2.737242891e+02 1.64 2.477855834e+02 2.477855834e+02 1.66 2.250585292e+02 2.250585292e+02 1.68 2.048593084e+02 2.048593084e+02 1.70 1.866906318e+02 1.866906318e+02 1.72 1.702541171e+02 1.702541171e+02 1.74 1.553410911e+02 1.553410911e+02 1.76 1.417813105e+02 1.417813105e+02 1.78 1.294293733e+02 1.294293733e+02 1.80 1.181600483e+02 1.181600483e+02 1.82 1.078646224e+02 1.078646224e+02 1.84 9.844772643e+01 9.844772643e+01 1.86 8.982178791e+01 8.982178791e+01 1.88 8.189320213e+01 8.189320213e+01 1.90 7.453591295e+01 7.453591295e+01 1.92 6.758048907e+01 6.758048907e+01 1.94 6.088763322e+01 6.088763322e+01 1.96 5.449379789e+01 5.449379789e+01 1.98 4.863266009e+01 4.863266009e+01 2.00 4.352101681e+01 4.352101681e+01 2.02 3.915620964e+01 3.915620964e+01 2.04 3.536353215e+01 3.536353215e+01 2.06 3.196418999e+01 3.196418999e+01 2.08 2.885293054e+01 2.885293054e+01 2.10 2.597981328e+01 2.597981328e+01 2.12 2.331807372e+01 2.331807372e+01 2.14 2.085025143e+01 2.085025143e+01 2.16 1.856542581e+01 1.856542581e+01 2.18 1.645783731e+01 1.645783731e+01 2.20 1.452418588e+01 1.452418588e+01 2.22 1.275987131e+01 1.275987131e+01 2.24 1.115648843e+01 1.115648843e+01 2.26 9.701782473e+00 9.701782473e+00 2.28 8.381568819e+00 8.381568819e+00 2.30 7.182060769e+00 7.182060769e+00 2.32 6.091357116e+00 6.091357116e+00 2.34 5.099677766e+00 5.099677766e+00 2.36 4.199121526e+00 4.199121526e+00 2.38 3.382907821e+00 3.382907821e+00 2.40 2.645083769e+00 2.645083769e+00 2.42 1.980163541e+00 1.980163541e+00 2.44 1.383022238e+00 1.383022238e+00 2.46 8.488358269e-01 8.488358269e-01 2.48 3.730456428e-01 3.730456428e-01 2.50 -4.866148130e-02 -4.866148130e-02 2.52 -4.203699214e-01 -4.203699214e-01 2.54 -7.459483411e-01 -7.459483411e-01 2.56 -1.029061302e+00 -1.029061302e+00 2.58 -1.273183301e+00 -1.273183301e+00 2.60 -1.481627263e+00 -1.481627263e+00 2.62 -1.657617955e+00 -1.657617955e+00 2.64 -1.804461062e+00 -1.804461062e+00 2.66 -1.925829364e+00 -1.925829364e+00 2.68 -2.026039301e+00 -2.026039301e+00 2.70 -2.109892961e+00 -2.109892961e+00 2.72 -2.181656657e+00 -2.181656657e+00 2.74 -2.243278523e+00 -2.243278523e+00 2.76 -2.293077003e+00 -2.293077003e+00 2.78 -2.326441629e+00 -2.326441629e+00 2.80 -2.338682987e+00 -2.338682987e+00 2.82 -2.328115651e+00 -2.328115651e+00 2.84 -2.297104085e+00 -2.297104085e+00 2.86 -2.250658051e+00 -2.250658051e+00 2.88 -2.194114315e+00 -2.194114315e+00 2.90 -2.131585551e+00 -2.131585551e+00 2.92 -2.065648974e+00 -2.065648974e+00 2.94 -1.997759528e+00 -1.997759528e+00 2.96 -1.928761791e+00 -1.928761791e+00 2.98 -1.859222882e+00 -1.859222882e+00 3.00 -1.789584296e+00 -1.789584296e+00 3.02 -1.720217615e+00 -1.720217615e+00 3.04 -1.651443698e+00 -1.651443698e+00 3.06 -1.583538229e+00 -1.583538229e+00 3.08 -1.516736928e+00 -1.516736928e+00 3.10 -1.451239594e+00 -1.451239594e+00 3.12 -1.387214132e+00 -1.387214132e+00 3.14 -1.324800411e+00 -1.324800411e+00 3.16 -1.264113878e+00 -1.264113878e+00 3.18 -1.205248833e+00 -1.205248833e+00 3.20 -1.148281299e+00 -1.148281299e+00 3.22 -1.093271456e+00 -1.093271456e+00 3.24 -1.040265638e+00 -1.040265638e+00 3.26 -9.892953640e-01 -9.892953640e-01 3.28 -9.403896849e-01 -9.403896849e-01 3.30 -8.935576432e-01 -8.935576432e-01 3.32 -8.488026842e-01 -8.488026842e-01 3.34 -8.061191585e-01 -8.061191585e-01 3.36 -7.654926900e-01 -7.654926900e-01 3.38 -7.269004823e-01 -7.269004823e-01 3.40 -6.903114372e-01 -6.903114372e-01 3.42 -6.556873363e-01 -6.556873363e-01 3.44 -6.229818158e-01 -6.229818158e-01 3.46 -5.921419236e-01 -5.921419236e-01 3.48 -5.631083583e-01 -5.631083583e-01 3.50 -5.358160985e-01 -5.358160985e-01 3.52 -5.101951064e-01 -5.101951064e-01 3.54 -4.861710840e-01 -4.861710840e-01 3.56 -4.636662661e-01 -4.636662661e-01 3.58 -4.426002264e-01 -4.426002264e-01 3.60 -4.228907006e-01 -4.228907006e-01 3.62 -4.044543782e-01 -4.044543782e-01 3.64 -3.872076748e-01 -3.872076748e-01 3.66 -3.710674617e-01 -3.710674617e-01 3.68 -3.559517392e-01 -3.559517392e-01 3.70 -3.417798861e-01 -3.417798861e-01 3.72 -3.284748241e-01 -3.284748241e-01 3.74 -3.159607887e-01 -3.159607887e-01 3.76 -3.041658017e-01 -3.041658017e-01 3.78 -2.930214035e-01 -2.930214035e-01 3.80 -2.824629221e-01 -2.824629221e-01 3.82 -2.724296825e-01 -2.724296825e-01 3.84 -2.628651570e-01 -2.628651570e-01 3.86 -2.537170531e-01 -2.537170531e-01 3.88 -2.449373526e-01 -2.449373526e-01 3.90 -2.364823031e-01 -2.364823031e-01 3.92 -2.283123716e-01 -2.283123716e-01 3.94 -2.203921651e-01 -2.203921651e-01 3.96 -2.126903151e-01 -2.126903151e-01 3.98 -2.051793430e-01 -2.051793430e-01 4.00 -1.978354998e-01 -1.978354998e-01 4.02 -1.906385970e-01 -1.906385970e-01 4.04 -1.835718114e-01 -1.835718114e-01 4.06 -1.766214970e-01 -1.766214970e-01 4.08 -1.697769650e-01 -1.697769650e-01 4.10 -1.630302839e-01 -1.630302839e-01 4.12 -1.563760524e-01 -1.563760524e-01 4.14 -1.498111849e-01 -1.498111849e-01 4.16 -1.433346821e-01 -1.433346821e-01 4.18 -1.369474135e-01 -1.369474135e-01 4.20 -1.306516113e-01 -1.306516113e-01 4.22 -1.244518525e-01 -1.244518525e-01 4.24 -1.183528746e-01 -1.183528746e-01 4.26 -1.123607990e-01 -1.123607990e-01 4.28 -1.064825152e-01 -1.064825152e-01 4.30 -1.007254744e-01 -1.007254744e-01 4.32 -9.509748990e-02 -9.509748990e-02 4.34 -8.960654704e-02 -8.960654704e-02 4.36 -8.426062233e-02 -8.426062233e-02 4.38 -7.906751388e-02 -7.906751388e-02 4.40 -7.403468522e-02 -7.403468522e-02 4.42 -6.916912285e-02 -6.916912285e-02 4.44 -6.447075178e-02 -6.447075178e-02 4.46 -5.995926038e-02 -5.995926038e-02 4.48 -5.563176700e-02 -5.563176700e-02 4.50 -5.148484832e-02 -5.148484832e-02 4.52 -4.753780368e-02 -4.753780368e-02 4.54 -4.378366464e-02 -4.378366464e-02 4.56 -4.022355106e-02 -4.022355106e-02 4.58 -3.685756852e-02 -3.685756852e-02 4.60 -3.368482273e-02 -3.368482273e-02 4.62 -3.070235077e-02 -3.070235077e-02 4.64 -2.790985165e-02 -2.790985165e-02 4.66 -2.530217931e-02 -2.530217931e-02 4.68 -2.287487592e-02 -2.287487592e-02 4.70 -2.062274350e-02 -2.062274350e-02 4.72 -1.853992582e-02 -1.853992582e-02 4.74 -1.661999553e-02 -1.661999553e-02 4.76 -1.485604329e-02 -1.485604329e-02 4.78 -1.324076942e-02 -1.324076942e-02 4.80 -1.176657397e-02 -1.176657397e-02 4.82 -1.042564539e-02 -1.042564539e-02 4.84 -9.210045631e-03 -9.210045631e-03 4.86 -8.111790800e-03 -8.111790800e-03 4.88 -7.122926084e-03 -7.122926084e-03 4.90 -6.235594404e-03 -6.235594404e-03 4.92 -5.442098050e-03 -5.442098050e-03 4.94 -4.734952785e-03 -4.734952785e-03 4.96 -4.106934466e-03 -4.106934466e-03 4.98 -3.551117891e-03 -3.551117891e-03 5.00 -3.060907999e-03 -3.060907999e-03 5.02 -2.630063909e-03 -2.630063909e-03 5.04 -2.252715871e-03 -2.252715871e-03 5.06 -1.923375834e-03 -1.923375834e-03 5.08 -1.636941996e-03 -1.636941996e-03 5.10 -1.388698146e-03 -1.388698146e-03 5.12 -1.174308280e-03 -1.174308280e-03 5.14 -9.898071548e-04 -9.898071548e-04 5.16 -8.315875209e-04 -8.315875209e-04 5.18 -6.963846186e-04 -6.963846186e-04 5.20 -5.812585120e-04 -5.812585120e-04 5.22 -4.835748868e-04 -4.835748868e-04 5.24 -4.009847904e-04 -4.009847904e-04 5.26 -3.314037955e-04 -3.314037955e-04 5.28 -2.729909785e-04 -2.729909785e-04 5.30 -2.241281152e-04 -2.241281152e-04 5.32 -1.833993338e-04 -1.833993338e-04 5.34 -1.495714894e-04 -1.495714894e-04 5.36 -1.215754722e-04 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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