# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I--Fe-Ni-Cr # implementation = EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 # composition = CrFeNi2 # 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 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 nan nan 1.70 nan nan 1.72 nan nan 1.74 nan nan 1.76 nan nan 1.78 nan nan 1.80 3.044808212e+03 3.044808212e+03 1.82 2.251194518e+03 2.251194518e+03 1.84 1.656472770e+03 1.656472770e+03 1.86 1.212355381e+03 1.212355381e+03 1.88 8.819968188e+02 8.819968188e+02 1.90 6.373247420e+02 6.373247420e+02 1.92 4.569903126e+02 4.569903126e+02 1.94 3.247895662e+02 3.247895662e+02 1.96 2.284631400e+02 2.284631400e+02 1.98 1.587576561e+02 1.587576561e+02 2.00 1.087079083e+02 1.087079083e+02 2.02 7.310325862e+01 7.310325862e+01 2.04 4.804404289e+01 4.804404289e+01 2.06 3.061191251e+01 3.061191251e+01 2.08 1.864556277e+01 1.864556277e+01 2.10 1.055387201e+01 1.055387201e+01 2.12 5.191421988e+00 5.191421988e+00 2.14 1.718799977e+00 1.718799977e+00 2.16 -4.835613111e-01 -4.835613111e-01 2.18 -1.852051466e+00 -1.852051466e+00 2.20 -2.688389907e+00 -2.688389907e+00 2.22 -3.196299457e+00 -3.196299457e+00 2.24 -3.509147510e+00 -3.509147510e+00 2.26 -3.710719045e+00 -3.710719045e+00 2.28 -3.850762336e+00 -3.850762336e+00 2.30 -3.956534737e+00 -3.956534737e+00 2.32 -4.041248106e+00 -4.041248106e+00 2.34 -4.110051280e+00 -4.110051280e+00 2.36 -4.163500588e+00 -4.163500588e+00 2.38 -4.196693640e+00 -4.196693640e+00 2.40 -4.205194490e+00 -4.205194490e+00 2.42 -4.199361901e+00 -4.199361901e+00 2.44 -4.191690083e+00 -4.191690083e+00 2.46 -4.180974252e+00 -4.180974252e+00 2.48 -4.162087315e+00 -4.162087315e+00 2.50 -4.134041967e+00 -4.134041967e+00 2.52 -4.100213734e+00 -4.100213734e+00 2.54 -4.066330150e+00 -4.066330150e+00 2.56 -4.036175068e+00 -4.036175068e+00 2.58 -4.011273117e+00 -4.011273117e+00 2.60 -3.991791944e+00 -3.991791944e+00 2.62 -3.976809225e+00 -3.976809225e+00 2.64 -3.963807683e+00 -3.963807683e+00 2.66 -3.949371956e+00 -3.949371956e+00 2.68 -3.930071616e+00 -3.930071616e+00 2.70 -3.903468946e+00 -3.903468946e+00 2.72 -3.868757804e+00 -3.868757804e+00 2.74 -3.826612092e+00 -3.826612092e+00 2.76 -3.778827145e+00 -3.778827145e+00 2.78 -3.727715928e+00 -3.727715928e+00 2.80 -3.675402213e+00 -3.675402213e+00 2.82 -3.623110776e+00 -3.623110776e+00 2.84 -3.571363039e+00 -3.571363039e+00 2.86 -3.520636740e+00 -3.520636740e+00 2.88 -3.471343713e+00 -3.471343713e+00 2.90 -3.423798332e+00 -3.423798332e+00 2.92 -3.378225268e+00 -3.378225268e+00 2.94 -3.334786353e+00 -3.334786353e+00 2.96 -3.293615334e+00 -3.293615334e+00 2.98 -3.254763534e+00 -3.254763534e+00 3.00 -3.218135839e+00 -3.218135839e+00 3.02 -3.183512447e+00 -3.183512447e+00 3.04 -3.150568364e+00 -3.150568364e+00 3.06 -3.118911882e+00 -3.118911882e+00 3.08 -3.088140852e+00 -3.088140852e+00 3.10 -3.057893216e+00 -3.057893216e+00 3.12 -3.027885496e+00 -3.027885496e+00 3.14 -2.997934942e+00 -2.997934942e+00 3.16 -2.967946776e+00 -2.967946776e+00 3.18 -2.937860395e+00 -2.937860395e+00 3.20 -2.907629278e+00 -2.907629278e+00 3.22 -2.877222665e+00 -2.877222665e+00 3.24 -2.846626726e+00 -2.846626726e+00 3.26 -2.815844737e+00 -2.815844737e+00 3.28 -2.784896376e+00 -2.784896376e+00 3.30 -2.753816245e+00 -2.753816245e+00 3.32 -2.722651753e+00 -2.722651753e+00 3.34 -2.691460486e+00 -2.691460486e+00 3.36 -2.660307171e+00 -2.660307171e+00 3.38 -2.629260372e+00 -2.629260372e+00 3.40 -2.598389051e+00 -2.598389051e+00 3.42 -2.567759099e+00 -2.567759099e+00 3.44 -2.537430000e+00 -2.537430000e+00 3.46 -2.507451728e+00 -2.507451728e+00 3.48 -2.477862032e+00 -2.477862032e+00 3.50 -2.448684233e+00 -2.448684233e+00 3.52 -2.419925679e+00 -2.419925679e+00 3.54 -2.391576979e+00 -2.391576979e+00 3.56 -2.363612176e+00 -2.363612176e+00 3.58 -2.335989987e+00 -2.335989987e+00 3.60 -2.308656256e+00 -2.308656256e+00 3.62 -2.281547763e+00 -2.281547763e+00 3.64 -2.254597540e+00 -2.254597540e+00 3.66 -2.227741834e+00 -2.227741834e+00 3.68 -2.200928860e+00 -2.200928860e+00 3.70 -2.174124698e+00 -2.174124698e+00 3.72 -2.147298459e+00 -2.147298459e+00 3.74 -2.120411691e+00 -2.120411691e+00 3.76 -2.093417847e+00 -2.093417847e+00 3.78 -2.066262335e+00 -2.066262335e+00 3.80 -2.038882773e+00 -2.038882773e+00 3.82 -2.011209509e+00 -2.011209509e+00 3.84 -1.983166442e+00 -1.983166442e+00 3.86 -1.954672186e+00 -1.954672186e+00 3.88 -1.925641641e+00 -1.925641641e+00 3.90 -1.895988005e+00 -1.895988005e+00 3.92 -1.865625304e+00 -1.865625304e+00 3.94 -1.834471475e+00 -1.834471475e+00 3.96 -1.802452084e+00 -1.802452084e+00 3.98 -1.769504724e+00 -1.769504724e+00 4.00 -1.735584178e+00 -1.735584178e+00 4.02 -1.700668400e+00 -1.700668400e+00 4.04 -1.664765398e+00 -1.664765398e+00 4.06 -1.627921089e+00 -1.627921089e+00 4.08 -1.590228198e+00 -1.590228198e+00 4.10 -1.551836300e+00 -1.551836300e+00 4.12 -1.512963064e+00 -1.512963064e+00 4.14 -1.473906802e+00 -1.473906802e+00 4.16 -1.435060407e+00 -1.435060407e+00 4.18 -1.396904064e+00 -1.396904064e+00 4.20 -1.359862118e+00 -1.359862118e+00 4.22 -1.324213824e+00 -1.324213824e+00 4.24 -1.290114091e+00 -1.290114091e+00 4.26 -1.257617653e+00 -1.257617653e+00 4.28 -1.226700219e+00 -1.226700219e+00 4.30 -1.197276825e+00 -1.197276825e+00 4.32 -1.169217631e+00 -1.169217631e+00 4.34 -1.142361380e+00 -1.142361380e+00 4.36 -1.116526748e+00 -1.116526748e+00 4.38 -1.091521775e+00 -1.091521775e+00 4.40 -1.067151610e+00 -1.067151610e+00 4.42 -1.043224743e+00 -1.043224743e+00 4.44 -1.019557926e+00 -1.019557926e+00 4.46 -9.959799709e-01 -9.959799709e-01 4.48 -9.723345857e-01 -9.723345857e-01 4.50 -9.484824447e-01 -9.484824447e-01 4.52 -9.243026291e-01 -9.243026291e-01 4.54 -8.996936159e-01 -8.996936159e-01 4.56 -8.745739571e-01 -8.745739571e-01 4.58 -8.488827882e-01 -8.488827882e-01 4.60 -8.225803186e-01 -8.225803186e-01 4.62 -7.956484059e-01 -7.956484059e-01 4.64 -7.680913834e-01 -7.680913834e-01 4.66 -7.399371943e-01 -7.399371943e-01 4.68 -7.112390032e-01 -7.112390032e-01 4.70 -6.820773545e-01 -6.820773545e-01 4.72 -6.525629888e-01 -6.525629888e-01 4.74 -6.228403652e-01 -6.228403652e-01 4.76 -5.930920544e-01 -5.930920544e-01 4.78 -5.635440093e-01 -5.635440093e-01 4.80 -5.344718004e-01 -5.344718004e-01 4.82 -5.062009403e-01 -5.062009403e-01 4.84 -4.790393466e-01 -4.790393466e-01 4.86 -4.532123760e-01 -4.532123760e-01 4.88 -4.288679648e-01 -4.288679648e-01 4.90 -4.060875481e-01 -4.060875481e-01 4.92 -3.848961754e-01 -3.848961754e-01 4.94 -3.652731174e-01 -3.652731174e-01 4.96 -3.471595628e-01 -3.471595628e-01 4.98 -3.304670830e-01 -3.304670830e-01 5.00 -3.150861871e-01 -3.150861871e-01 5.02 -3.008914216e-01 -3.008914216e-01 5.04 -2.877492369e-01 -2.877492369e-01 5.06 -2.755229620e-01 -2.755229620e-01 5.08 -2.640758128e-01 -2.640758128e-01 5.10 -2.532784683e-01 -2.532784683e-01 5.12 -2.430140115e-01 -2.430140115e-01 5.14 -2.331319699e-01 -2.331319699e-01 5.16 -2.234968760e-01 -2.234968760e-01 5.18 -2.140811039e-01 -2.140811039e-01 5.20 -2.050459550e-01 -2.050459550e-01 5.22 -1.966065311e-01 -1.966065311e-01 5.24 -1.887848306e-01 -1.887848306e-01 5.26 -1.812077107e-01 -1.812077107e-01 5.28 -1.732498903e-01 -1.732498903e-01 5.30 -1.644884795e-01 -1.644884795e-01 5.32 -1.547585514e-01 -1.547585514e-01 5.34 -1.440590061e-01 -1.440590061e-01 5.36 -1.325396483e-01 -1.325396483e-01 5.38 -1.205809453e-01 -1.205809453e-01 5.40 -1.086479257e-01 -1.086479257e-01 5.42 -9.707672866e-02 -9.707672866e-02 5.44 -8.608156529e-02 -8.608156529e-02 5.46 -7.578978188e-02 -7.578978188e-02 5.48 -6.626802144e-02 -6.626802144e-02 5.50 -5.754145189e-02 -5.754145189e-02 5.52 -4.960765353e-02 -4.960765353e-02 5.54 -4.244644463e-02 -4.244644463e-02 5.56 -3.602666349e-02 -3.602666349e-02 5.58 -3.031071045e-02 -3.031071045e-02 5.60 -2.525747710e-02 -2.525747710e-02 5.62 -2.082414681e-02 -2.082414681e-02 5.64 -1.696723446e-02 -1.696723446e-02 5.66 -1.364314071e-02 -1.364314071e-02 5.68 -1.080842233e-02 -1.080842233e-02 5.70 -8.419921919e-03 -8.419921919e-03 5.72 -6.434855248e-03 -6.434855248e-03 5.74 -4.810919819e-03 -4.810919819e-03 5.76 -3.506461485e-03 -3.506461485e-03 5.78 -2.480716337e-03 -2.480716337e-03 5.80 -1.694130281e-03 -1.694130281e-03 5.82 -1.108747976e-03 -1.108747976e-03 5.84 -6.886551004e-04 -6.886551004e-04 5.86 -4.004523591e-04 -4.004523591e-04 5.88 -2.137357532e-04 -2.137357532e-04 5.90 -1.015547966e-04 -1.015547966e-04 5.92 -4.081832240e-05 -4.081832240e-05 5.94 -1.261592362e-05 -1.261592362e-05 5.96 -2.421753171e-06 -2.421753171e-06 5.98 -1.462233198e-07 -1.462233198e-07 6.00 3.912393249e-13 3.645144784e-13