# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoMn2Ni # 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 3.267586362e+04 3.267586362e+04 1.12 2.628334216e+04 2.628334216e+04 1.14 2.121950853e+04 2.121950853e+04 1.16 1.719209470e+04 1.719209470e+04 1.18 1.397658840e+04 1.397658840e+04 1.20 1.139974280e+04 1.139974280e+04 1.22 9.327285605e+03 9.327285605e+03 1.24 7.654710211e+03 7.654710211e+03 1.26 6.300344933e+03 6.300344933e+03 1.28 5.200110822e+03 5.200110822e+03 1.30 4.303538393e+03 4.303538393e+03 1.32 3.570730835e+03 3.570730835e+03 1.34 2.970036293e+03 2.970036293e+03 1.36 2.476255884e+03 2.476255884e+03 1.38 2.069260998e+03 2.069260998e+03 1.40 1.732921026e+03 1.732921026e+03 1.42 1.454267846e+03 1.454267846e+03 1.44 1.222843609e+03 1.222843609e+03 1.46 1.030190274e+03 1.030190274e+03 1.48 8.694476228e+02 8.694476228e+02 1.50 7.350361171e+02 7.350361171e+02 1.52 6.224050379e+02 6.224050379e+02 1.54 5.278329907e+02 5.278329907e+02 1.56 4.482688638e+02 4.482688638e+02 1.58 3.812047501e+02 3.812047501e+02 1.60 3.245745885e+02 3.245745885e+02 1.62 2.766720861e+02 2.766720861e+02 1.64 2.360843414e+02 2.360843414e+02 1.66 2.016390629e+02 2.016390629e+02 1.68 1.723615723e+02 1.723615723e+02 1.70 1.474398080e+02 1.474398080e+02 1.72 1.261959112e+02 1.261959112e+02 1.74 1.080630125e+02 1.080630125e+02 1.76 9.256603105e+01 9.256603105e+01 1.78 7.930587269e+01 7.930587269e+01 1.80 6.794678557e+01 6.794678557e+01 1.82 5.820590035e+01 5.820590035e+01 1.84 4.984439183e+01 4.984439183e+01 1.86 4.266034249e+01 4.266034249e+01 1.88 3.648284103e+01 3.648284103e+01 1.90 3.116703409e+01 3.116703409e+01 1.92 2.659000711e+01 2.659000711e+01 1.94 2.264717381e+01 2.264717381e+01 1.96 1.924926180e+01 1.924926180e+01 1.98 1.631987895e+01 1.631987895e+01 2.00 1.379372759e+01 1.379372759e+01 2.02 1.161496530e+01 1.161496530e+01 2.04 9.735788637e+00 9.735788637e+00 2.06 8.115137474e+00 8.115137474e+00 2.08 6.717760504e+00 6.717760504e+00 2.10 5.513364709e+00 5.513364709e+00 2.12 4.475875115e+00 4.475875115e+00 2.14 3.582831714e+00 3.582831714e+00 2.16 2.814879315e+00 2.814879315e+00 2.18 2.155335274e+00 2.155335274e+00 2.20 1.589822910e+00 1.589822910e+00 2.22 1.105921826e+00 1.105921826e+00 2.24 6.927715208e-01 6.927715208e-01 2.26 3.409370928e-01 3.409370928e-01 2.28 4.224745472e-02 4.224745472e-02 2.30 -2.103775097e-01 -2.103775097e-01 2.32 -4.230688829e-01 -4.230688829e-01 2.34 -6.011304419e-01 -6.011304419e-01 2.36 -7.491948427e-01 -7.491948427e-01 2.38 -8.713578424e-01 -8.713578424e-01 2.40 -9.711916033e-01 -9.711916033e-01 2.42 -1.051804414e+00 -1.051804414e+00 2.44 -1.115897642e+00 -1.115897642e+00 2.46 -1.165814578e+00 -1.165814578e+00 2.48 -1.203582299e+00 -1.203582299e+00 2.50 -1.230947553e+00 -1.230947553e+00 2.52 -1.249407469e+00 -1.249407469e+00 2.54 -1.260235841e+00 -1.260235841e+00 2.56 -1.264505683e+00 -1.264505683e+00 2.58 -1.263138710e+00 -1.263138710e+00 2.60 -1.256966205e+00 -1.256966205e+00 2.62 -1.246691889e+00 -1.246691889e+00 2.64 -1.232914301e+00 -1.232914301e+00 2.66 -1.216198383e+00 -1.216198383e+00 2.68 -1.197055007e+00 -1.197055007e+00 2.70 -1.175927627e+00 -1.175927627e+00 2.72 -1.153186559e+00 -1.153186559e+00 2.74 -1.129140004e+00 -1.129140004e+00 2.76 -1.104054931e+00 -1.104054931e+00 2.78 -1.078162675e+00 -1.078162675e+00 2.80 -1.051663244e+00 -1.051663244e+00 2.82 -1.024729026e+00 -1.024729026e+00 2.84 -9.975079487e-01 -9.975079487e-01 2.86 -9.701261837e-01 -9.701261837e-01 2.88 -9.426948037e-01 -9.426948037e-01 2.90 -9.153213882e-01 -9.153213882e-01 2.92 -8.881030826e-01 -8.881030826e-01 2.94 -8.611260059e-01 -8.611260059e-01 2.96 -8.344665495e-01 -8.344665495e-01 2.98 -8.081924661e-01 -8.081924661e-01 3.00 -7.823637723e-01 -7.823637723e-01 3.02 -7.570334886e-01 -7.570334886e-01 3.04 -7.322482363e-01 -7.322482363e-01 3.06 -7.080487088e-01 -7.080487088e-01 3.08 -6.844700320e-01 -6.844700320e-01 3.10 -6.615420274e-01 -6.615420274e-01 3.12 -6.392893905e-01 -6.392893905e-01 3.14 -6.177317923e-01 -6.177317923e-01 3.16 -5.968838660e-01 -5.968838660e-01 3.18 -5.767519270e-01 -5.767519270e-01 3.20 -5.573324796e-01 -5.573324796e-01 3.22 -5.386175944e-01 -5.386175944e-01 3.24 -5.205952233e-01 -5.205952233e-01 3.26 -5.032489430e-01 -5.032489430e-01 3.28 -4.865576663e-01 -4.865576663e-01 3.30 -4.704953265e-01 -4.704953265e-01 3.32 -4.550333202e-01 -4.550333202e-01 3.34 -4.401493066e-01 -4.401493066e-01 3.36 -4.258199525e-01 -4.258199525e-01 3.38 -4.120180754e-01 -4.120180754e-01 3.40 -3.987123594e-01 -3.987123594e-01 3.42 -3.858670580e-01 -3.858670580e-01 3.44 -3.734416851e-01 -3.734416851e-01 3.46 -3.613928213e-01 -3.613928213e-01 3.48 -3.496978577e-01 -3.496978577e-01 3.50 -3.383498057e-01 -3.383498057e-01 3.52 -3.273423839e-01 -3.273423839e-01 3.54 -3.166697143e-01 -3.166697143e-01 3.56 -3.063262822e-01 -3.063262822e-01 3.58 -2.963068915e-01 -2.963068915e-01 3.60 -2.866066156e-01 -2.866066156e-01 3.62 -2.772207443e-01 -2.772207443e-01 3.64 -2.681447282e-01 -2.681447282e-01 3.66 -2.593741200e-01 -2.593741200e-01 3.68 -2.509045125e-01 -2.509045125e-01 3.70 -2.427314764e-01 -2.427314764e-01 3.72 -2.348504938e-01 -2.348504938e-01 3.74 -2.272568922e-01 -2.272568922e-01 3.76 -2.199457757e-01 -2.199457757e-01 3.78 -2.129119559e-01 -2.129119559e-01 3.80 -2.061498809e-01 -2.061498809e-01 3.82 -1.996535643e-01 -1.996535643e-01 3.84 -1.934165128e-01 -1.934165128e-01 3.86 -1.874316532e-01 -1.874316532e-01 3.88 -1.816912595e-01 -1.816912595e-01 3.90 -1.761868784e-01 -1.761868784e-01 3.92 -1.709092558e-01 -1.709092558e-01 3.94 -1.658482620e-01 -1.658482620e-01 3.96 -1.609928166e-01 -1.609928166e-01 3.98 -1.563308142e-01 -1.563308142e-01 4.00 -1.518490490e-01 -1.518490490e-01 4.02 -1.475331394e-01 -1.475331394e-01 4.04 -1.433674534e-01 -1.433674534e-01 4.06 -1.393367700e-01 -1.393367700e-01 4.08 -1.354338599e-01 -1.354338599e-01 4.10 -1.316543414e-01 -1.316543414e-01 4.12 -1.279939867e-01 -1.279939867e-01 4.14 -1.244487168e-01 -1.244487168e-01 4.16 -1.210145959e-01 -1.210145959e-01 4.18 -1.176878275e-01 -1.176878275e-01 4.20 -1.144647492e-01 -1.144647492e-01 4.22 -1.113418287e-01 -1.113418287e-01 4.24 -1.083156593e-01 -1.083156593e-01 4.26 -1.053829555e-01 -1.053829555e-01 4.28 -1.025405488e-01 -1.025405488e-01 4.30 -9.978538394e-02 -9.978538394e-02 4.32 -9.711451466e-02 -9.711451466e-02 4.34 -9.452509995e-02 -9.452509995e-02 4.36 -9.201440031e-02 -9.201440031e-02 4.38 -8.957977416e-02 -8.957977416e-02 4.40 -8.721867427e-02 -8.721867427e-02 4.42 -8.492864443e-02 -8.492864443e-02 4.44 -8.270731610e-02 -8.270731610e-02 4.46 -8.055240525e-02 -8.055240525e-02 4.48 -7.846143139e-02 -7.846143139e-02 4.50 -7.643093218e-02 -7.643093218e-02 4.52 -7.445739381e-02 -7.445739381e-02 4.54 -7.253753775e-02 -7.253753775e-02 4.56 -7.066831270e-02 -7.066831270e-02 4.58 -6.884688654e-02 -6.884688654e-02 4.60 -6.707063830e-02 -6.707063830e-02 4.62 -6.533715031e-02 -6.533715031e-02 4.64 -6.364420023e-02 -6.364420023e-02 4.66 -6.198975332e-02 -6.198975332e-02 4.68 -6.037195465e-02 -6.037195465e-02 4.70 -5.878912136e-02 -5.878912136e-02 4.72 -5.723973505e-02 -5.723973505e-02 4.74 -5.572243416e-02 -5.572243416e-02 4.76 -5.423600641e-02 -5.423600641e-02 4.78 -5.277938127e-02 -5.277938127e-02 4.80 -5.135162255e-02 -5.135162255e-02 4.82 -4.995192092e-02 -4.995192092e-02 4.84 -4.857958658e-02 -4.857958658e-02 4.86 -4.723404189e-02 -4.723404189e-02 4.88 -4.591481410e-02 -4.591481410e-02 4.90 -4.462152811e-02 -4.462152811e-02 4.92 -4.335389921e-02 -4.335389921e-02 4.94 -4.211172592e-02 -4.211172592e-02 4.96 -4.089488287e-02 -4.089488287e-02 4.98 -3.970331363e-02 -3.970331363e-02 5.00 -3.853702370e-02 -3.853702370e-02 5.02 -3.739607342e-02 -3.739607342e-02 5.04 -3.628057095e-02 -3.628057095e-02 5.06 -3.519066530e-02 -3.519066530e-02 5.08 -3.412653939e-02 -3.412653939e-02 5.10 -3.308840307e-02 -3.308840307e-02 5.12 -3.207648624e-02 -3.207648624e-02 5.14 -3.109103199e-02 -3.109103199e-02 5.16 -3.013225881e-02 -3.013225881e-02 5.18 -2.919969250e-02 -2.919969250e-02 5.20 -2.829223592e-02 -2.829223592e-02 5.22 -2.740887191e-02 -2.740887191e-02 5.24 -2.654868449e-02 -2.654868449e-02 5.26 -2.571084856e-02 -2.571084856e-02 5.28 -2.489461966e-02 -2.489461966e-02 5.30 -2.409932361e-02 -2.409932361e-02 5.32 -2.332434622e-02 -2.332434622e-02 5.34 -2.256912302e-02 -2.256912302e-02 5.36 -2.183312895e-02 -2.183312895e-02 5.38 -2.111586803e-02 -2.111586803e-02 5.40 -2.041686309e-02 -2.041686309e-02 5.42 -1.973564548e-02 -1.973564548e-02 5.44 -1.907174473e-02 -1.907174473e-02 5.46 -1.842467830e-02 -1.842467830e-02 5.48 -1.779394122e-02 -1.779394122e-02 5.50 -1.717899587e-02 -1.717899587e-02 5.52 -1.657926159e-02 -1.657926159e-02 5.54 -1.599410447e-02 -1.599410447e-02 5.56 -1.542282696e-02 -1.542282696e-02 5.58 -1.486465766e-02 -1.486465766e-02 5.60 -1.431874094e-02 -1.431874094e-02 5.62 -1.378412671e-02 -1.378412671e-02 5.64 -1.325976007e-02 -1.325976007e-02 5.66 -1.274447103e-02 -1.274447103e-02 5.68 -1.223696420e-02 -1.223696420e-02 5.70 -1.173580853e-02 -1.173580853e-02 5.72 -1.123943062e-02 -1.123943062e-02 5.74 -1.074679303e-02 -1.074679303e-02 5.76 -1.025827592e-02 -1.025827592e-02 5.78 -9.774473137e-03 -9.774473137e-03 5.80 -9.296001306e-03 -9.296001306e-03 5.82 -8.823495827e-03 -8.823495827e-03 5.84 -8.357606773e-03 -8.357606773e-03 5.86 -7.898994822e-03 -7.898994822e-03 5.88 -7.448327179e-03 -7.448327179e-03 5.90 -7.006273506e-03 -7.006273506e-03 5.92 -6.573501848e-03 -6.573501848e-03 5.94 -6.150674553e-03 -6.150674553e-03 5.96 -5.738444206e-03 -5.738444206e-03 5.98 -5.337449548e-03 -5.337449548e-03 6.00 -4.948311406e-03 -4.948311406e-03