# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In-N # implementation = 2009--Do-E-C--Ga-In-N--LAMMPS--ipr1 # composition = Ga2InN # 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 2022-05-24 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 4.881409330e+02 4.881409330e+02 0.86 4.539696811e+02 4.539696811e+02 0.88 4.220202478e+02 4.220202478e+02 0.90 3.921651488e+02 3.921651488e+02 0.92 3.642843790e+02 3.642843790e+02 0.94 3.382642934e+02 3.382642934e+02 0.96 3.139967724e+02 3.139967724e+02 0.98 2.913786262e+02 2.913786262e+02 1.00 2.703111954e+02 2.703111954e+02 1.02 2.507001004e+02 2.507001004e+02 1.04 2.324550955e+02 2.324550955e+02 1.06 2.154899924e+02 2.154899924e+02 1.08 1.997226209e+02 1.997226209e+02 1.10 1.850748062e+02 1.850748062e+02 1.12 1.714723439e+02 1.714723439e+02 1.14 1.588449642e+02 1.588449642e+02 1.16 1.471262778e+02 1.471262778e+02 1.18 1.362537030e+02 1.362537030e+02 1.20 1.261683714e+02 1.261683714e+02 1.22 1.168150168e+02 1.168150168e+02 1.24 1.081418476e+02 1.081418476e+02 1.26 1.001004073e+02 1.001004073e+02 1.28 9.264542610e+01 9.264542610e+01 1.30 8.573466613e+01 8.573466613e+01 1.32 7.932876367e+01 7.932876367e+01 1.34 7.339107045e+01 7.339107045e+01 1.36 6.788749660e+01 6.788749660e+01 1.38 6.278635614e+01 6.278635614e+01 1.40 5.805821714e+01 5.805821714e+01 1.42 5.367575677e+01 5.367575677e+01 1.44 4.961362265e+01 4.961362265e+01 1.46 4.584830040e+01 4.584830040e+01 1.48 4.235798805e+01 4.235798805e+01 1.50 3.912247729e+01 3.912247729e+01 1.52 3.612304148e+01 3.612304148e+01 1.54 3.334233062e+01 3.334233062e+01 1.56 3.076427264e+01 3.076427264e+01 1.58 2.837398132e+01 2.837398132e+01 1.60 2.615767013e+01 2.615767013e+01 1.62 2.410257201e+01 2.410257201e+01 1.64 2.219686461e+01 2.219686461e+01 1.66 2.042960082e+01 2.042960082e+01 1.68 1.879064414e+01 1.879064414e+01 1.70 1.727060871e+01 1.727060871e+01 1.72 1.586080370e+01 1.586080370e+01 1.74 1.455318165e+01 1.455318165e+01 1.76 1.334029070e+01 1.334029070e+01 1.78 1.221523018e+01 1.221523018e+01 1.80 1.117160966e+01 1.117160966e+01 1.82 1.020351087e+01 1.020351087e+01 1.84 9.305452529e+00 9.305452529e+00 1.86 8.472357772e+00 8.472357772e+00 1.88 7.699524013e+00 7.699524013e+00 1.90 6.982595043e+00 6.982595043e+00 1.92 6.317535228e+00 6.317535228e+00 1.94 5.700605634e+00 5.700605634e+00 1.96 5.128341932e+00 5.128341932e+00 1.98 4.597533978e+00 4.597533978e+00 2.00 4.105206893e+00 4.105206893e+00 2.02 3.648603594e+00 3.648603594e+00 2.04 3.225168607e+00 3.225168607e+00 2.06 2.832533113e+00 2.832533113e+00 2.08 2.468501098e+00 2.468501098e+00 2.10 2.131036556e+00 2.131036556e+00 2.12 1.818251638e+00 1.818251638e+00 2.14 1.528395694e+00 1.528395694e+00 2.16 1.259845132e+00 1.259845132e+00 2.18 1.011094038e+00 1.011094038e+00 2.20 7.807454982e-01 7.807454982e-01 2.22 5.675035600e-01 5.675035600e-01 2.24 3.701658068e-01 3.701658068e-01 2.26 1.876164746e-01 1.876164746e-01 2.28 1.882008994e-02 1.882008994e-02 2.30 -1.371844236e-01 -1.371844236e-01 2.32 -2.812891969e-01 -2.812891969e-01 2.34 -4.143224632e-01 -4.143224632e-01 2.36 -5.370532303e-01 -5.370532303e-01 2.38 -6.501956050e-01 -6.501956050e-01 2.40 -7.544127980e-01 -7.544127980e-01 2.42 -8.503208309e-01 -8.503208309e-01 2.44 -9.384919692e-01 -9.384919692e-01 2.46 -1.019457900e+00 -1.019457900e+00 2.48 -1.093712677e+00 -1.093712677e+00 2.50 -1.161715444e+00 -1.161715444e+00 2.52 -1.223892963e+00 -1.223892963e+00 2.54 -1.280641949e+00 -1.280641949e+00 2.56 -1.332331240e+00 -1.332331240e+00 2.58 -1.379303801e+00 -1.379303801e+00 2.60 -1.421878583e+00 -1.421878583e+00 2.62 -1.460352247e+00 -1.460352247e+00 2.64 -1.495000759e+00 -1.495000759e+00 2.66 -1.526080869e+00 -1.526080869e+00 2.68 -1.553831485e+00 -1.553831485e+00 2.70 -1.578474936e+00 -1.578474936e+00 2.72 -1.600218157e+00 -1.600218157e+00 2.74 -1.619253777e+00 -1.619253777e+00 2.76 -1.635761131e+00 -1.635761131e+00 2.78 -1.649907200e+00 -1.649907200e+00 2.80 -1.661847479e+00 -1.661847479e+00 2.82 -1.671726786e+00 -1.671726786e+00 2.84 -1.679680010e+00 -1.679680010e+00 2.86 -1.685832803e+00 -1.685832803e+00 2.88 -1.690302227e+00 -1.690302227e+00 2.90 -1.693197352e+00 -1.693197352e+00 2.92 -1.694619809e+00 -1.694619809e+00 2.94 -1.694664303e+00 -1.694664303e+00 2.96 -1.693419097e+00 -1.693419097e+00 2.98 -1.690966451e+00 -1.690966451e+00 3.00 -1.687383036e+00 -1.687383036e+00 3.02 -1.682740318e+00 -1.682740318e+00 3.04 -1.677104913e+00 -1.677104913e+00 3.06 -1.670538920e+00 -1.670538920e+00 3.08 -1.663100228e+00 -1.663100228e+00 3.10 -1.654842803e+00 -1.654842803e+00 3.12 -1.645816957e+00 -1.645816957e+00 3.14 -1.636069594e+00 -1.636069594e+00 3.16 -1.625644446e+00 -1.625644446e+00 3.18 -1.614582291e+00 -1.614582291e+00 3.20 -1.602921152e+00 -1.602921152e+00 3.22 -1.590696492e+00 -1.590696492e+00 3.24 -1.577941390e+00 -1.577941390e+00 3.26 -1.564686712e+00 -1.564686712e+00 3.28 -1.550961267e+00 -1.550961267e+00 3.30 -1.536791959e+00 -1.536791959e+00 3.32 -1.522203928e+00 -1.522203928e+00 3.34 -1.507220686e+00 -1.507220686e+00 3.36 -1.491864248e+00 -1.491864248e+00 3.38 -1.476155141e+00 -1.476155141e+00 3.40 -1.459341893e+00 -1.459341893e+00 3.42 -1.433841857e+00 -1.433841857e+00 3.44 -1.383514995e+00 -1.383514995e+00 3.46 -1.314205265e+00 -1.314205265e+00 3.48 -1.291565675e+00 -1.291565675e+00 3.50 -1.272110385e+00 -1.272110385e+00 3.52 -1.252516976e+00 -1.252516976e+00 3.54 -1.232798111e+00 -1.232798111e+00 3.56 -1.212966616e+00 -1.212966616e+00 3.58 -1.193035598e+00 -1.193035598e+00 3.60 -1.173018572e+00 -1.173018572e+00 3.62 -1.152929579e+00 -1.152929579e+00 3.64 -1.132783308e+00 -1.132783308e+00 3.66 -1.112595209e+00 -1.112595209e+00 3.68 -1.092381610e+00 -1.092381610e+00 3.70 -1.072159818e+00 -1.072159818e+00 3.72 -1.051948221e+00 -1.051948221e+00 3.74 -1.031766366e+00 -1.031766366e+00 3.76 -1.011635035e+00 -1.011635035e+00 3.78 -9.915762930e-01 -9.915762930e-01 3.80 -9.716135175e-01 -9.716135175e-01 3.82 -9.517714037e-01 -9.517714037e-01 3.84 -9.320759367e-01 -9.320759367e-01 3.86 -9.125543309e-01 -9.125543309e-01 3.88 -8.932349322e-01 -8.932349322e-01 3.90 -8.741470794e-01 -8.741470794e-01 3.92 -8.534790966e-01 -8.534790966e-01 3.94 -8.076324952e-01 -8.076324952e-01 3.96 -6.736799239e-01 -6.736799239e-01 3.98 -3.682980978e-01 -3.682980978e-01 4.00 -2.182533014e-22 -2.189308332e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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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