# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = CFe2Mn # 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 3.976633952e+02 3.976633952e+02 1.00 3.687738079e+02 3.687738079e+02 1.02 3.419161030e+02 3.419161030e+02 1.04 3.169062032e+02 3.169062032e+02 1.06 2.935986401e+02 2.935986401e+02 1.08 2.718749160e+02 2.718749160e+02 1.10 2.516350053e+02 2.516350053e+02 1.12 2.327913093e+02 2.327913093e+02 1.14 2.152644394e+02 2.152644394e+02 1.16 1.989803398e+02 1.989803398e+02 1.18 1.838684628e+02 1.838684628e+02 1.20 1.698606873e+02 1.698606873e+02 1.22 1.568907564e+02 1.568907564e+02 1.24 1.448940681e+02 1.448940681e+02 1.26 1.338076905e+02 1.338076905e+02 1.28 1.235705099e+02 1.235705099e+02 1.30 1.141234436e+02 1.141234436e+02 1.32 1.054096717e+02 1.054096717e+02 1.34 9.737485511e+01 9.737485511e+01 1.36 8.996732258e+01 8.996732258e+01 1.38 8.313821322e+01 8.313821322e+01 1.40 7.684157242e+01 7.684157242e+01 1.42 7.103440018e+01 7.103440018e+01 1.44 6.567665391e+01 6.567665391e+01 1.46 6.073121196e+01 6.073121196e+01 1.48 5.616380202e+01 5.616380202e+01 1.50 5.194290076e+01 5.194290076e+01 1.52 4.803961091e+01 4.803961091e+01 1.54 4.442752012e+01 4.442752012e+01 1.56 4.108254666e+01 4.108254666e+01 1.58 3.798277566e+01 3.798277566e+01 1.60 3.510828720e+01 3.510828720e+01 1.62 3.244097788e+01 3.244097788e+01 1.64 2.996437189e+01 2.996437189e+01 1.66 2.766334035e+01 2.766334035e+01 1.68 2.552367687e+01 2.552367687e+01 1.70 2.353178517e+01 2.353178517e+01 1.72 2.167429503e+01 2.167429503e+01 1.74 1.993733877e+01 1.993733877e+01 1.76 1.830483329e+01 1.830483329e+01 1.78 1.675288132e+01 1.675288132e+01 1.80 1.521447029e+01 1.521447029e+01 1.82 1.343994399e+01 1.343994399e+01 1.84 1.252610526e+01 1.252610526e+01 1.86 1.168608594e+01 1.168608594e+01 1.88 1.089669631e+01 1.089669631e+01 1.90 1.028224951e+01 1.028224951e+01 1.92 1.098471352e+01 1.098471352e+01 1.94 1.252461674e+01 1.252461674e+01 1.96 1.426416402e+01 1.426416402e+01 1.98 1.582313187e+01 1.582313187e+01 2.00 1.699986907e+01 1.699986907e+01 2.02 1.771216931e+01 1.771216931e+01 2.04 1.795426483e+01 1.795426483e+01 2.06 1.776613217e+01 1.776613217e+01 2.08 1.721208138e+01 1.721208138e+01 2.10 1.636626530e+01 1.636626530e+01 2.12 1.530327223e+01 1.530327223e+01 2.14 1.409238410e+01 1.409238410e+01 2.16 1.279443112e+01 1.279443112e+01 2.18 1.146043005e+01 1.146043005e+01 2.20 1.013140093e+01 1.013140093e+01 2.22 8.838917613e+00 8.838917613e+00 2.24 7.606085359e+00 7.606085359e+00 2.26 6.448723892e+00 6.448723892e+00 2.28 5.376601902e+00 5.376601902e+00 2.30 4.394628577e+00 4.394628577e+00 2.32 3.503944490e+00 3.503944490e+00 2.34 2.702879629e+00 2.702879629e+00 2.36 1.987768982e+00 1.987768982e+00 2.38 1.353626041e+00 1.353626041e+00 2.40 7.946834239e-01 7.946834239e-01 2.42 3.048147669e-01 3.048147669e-01 2.44 -1.221469308e-01 -1.221469308e-01 2.46 -4.921780720e-01 -4.921780720e-01 2.48 -8.109052170e-01 -8.109052170e-01 2.50 -1.083504914e+00 -1.083504914e+00 2.52 -1.314673532e+00 -1.314673532e+00 2.54 -1.508680983e+00 -1.508680983e+00 2.56 -1.669419130e+00 -1.669419130e+00 2.58 -1.800432899e+00 -1.800432899e+00 2.60 -1.904948680e+00 -1.904948680e+00 2.62 -1.985900458e+00 -1.985900458e+00 2.64 -2.045953980e+00 -2.045953980e+00 2.66 -2.087529015e+00 -2.087529015e+00 2.68 -2.112819831e+00 -2.112819831e+00 2.70 -2.123814139e+00 -2.123814139e+00 2.72 -2.122310481e+00 -2.122310481e+00 2.74 -2.109934260e+00 -2.109934260e+00 2.76 -2.088152526e+00 -2.088152526e+00 2.78 -2.058287535e+00 -2.058287535e+00 2.80 -2.021529262e+00 -2.021529262e+00 2.82 -1.978946899e+00 -1.978946899e+00 2.84 -1.931499414e+00 -1.931499414e+00 2.86 -1.880045271e+00 -1.880045271e+00 2.88 -1.825351360e+00 -1.825351360e+00 2.90 -1.768101179e+00 -1.768101179e+00 2.92 -1.708902372e+00 -1.708902372e+00 2.94 -1.648293632e+00 -1.648293632e+00 2.96 -1.586751023e+00 -1.586751023e+00 2.98 -1.524693803e+00 -1.524693803e+00 3.00 -1.462489738e+00 -1.462489738e+00 3.02 -1.400459975e+00 -1.400459975e+00 3.04 -1.338883515e+00 -1.338883515e+00 3.06 -1.278001287e+00 -1.278001287e+00 3.08 -1.218019890e+00 -1.218019890e+00 3.10 -1.159115011e+00 -1.159115011e+00 3.12 -1.101434539e+00 -1.101434539e+00 3.14 -1.045101418e+00 -1.045101418e+00 3.16 -9.902162482e-01 -9.902162482e-01 3.18 -9.368596532e-01 -9.368596532e-01 3.20 -8.850944440e-01 -8.850944440e-01 3.22 -8.349675849e-01 -8.349675849e-01 3.24 -7.865119846e-01 -7.865119846e-01 3.26 -7.397481250e-01 -7.397481250e-01 3.28 -6.946855393e-01 -6.946855393e-01 3.30 -6.513241558e-01 -6.513241558e-01 3.32 -6.096555152e-01 -6.096555152e-01 3.34 -5.696638737e-01 -5.696638737e-01 3.36 -5.313272023e-01 -5.313272023e-01 3.38 -4.946180887e-01 -4.946180887e-01 3.40 -4.595045526e-01 -4.595045526e-01 3.42 -4.259507807e-01 -4.259507807e-01 3.44 -3.939177881e-01 -3.939177881e-01 3.46 -3.633640127e-01 -3.633640127e-01 3.48 -3.342458491e-01 -3.342458491e-01 3.50 -3.065181254e-01 -3.065181254e-01 3.52 -2.801345300e-01 -2.801345300e-01 3.54 -2.550479910e-01 -2.550479910e-01 3.56 -2.312110135e-01 -2.312110135e-01 3.58 -2.085759772e-01 -2.085759772e-01 3.60 -1.870953989e-01 -1.870953989e-01 3.62 -1.667221625e-01 -1.667221625e-01 3.64 -1.474097185e-01 -1.474097185e-01 3.66 -1.291122571e-01 -1.291122571e-01 3.68 -1.117848562e-01 -1.117848562e-01 3.70 -9.538360605e-02 -9.538360605e-02 3.72 -7.986571425e-02 -7.986571425e-02 3.74 -6.518959090e-02 -6.518959090e-02 3.76 -5.131491702e-02 -5.131491702e-02 3.78 -3.820269752e-02 -3.820269752e-02 3.80 -2.581529957e-02 -2.581529957e-02 3.82 -1.411647865e-02 -1.411647865e-02 3.84 -3.071393194e-03 -3.071393194e-03 3.86 7.353391305e-03 7.353391305e-03 3.88 1.718990675e-02 1.718990675e-02 3.90 2.646879501e-02 2.646879501e-02 3.92 3.521932753e-02 3.521932753e-02 3.94 4.346943045e-02 4.346943045e-02 3.96 5.124571508e-02 5.124571508e-02 3.98 5.857351246e-02 5.857351246e-02 4.00 6.547691099e-02 6.547691099e-02 4.02 7.197879721e-02 7.197879721e-02 4.04 7.810089819e-02 7.810089819e-02 4.06 8.386382538e-02 8.386382538e-02 4.08 8.928711954e-02 8.928711954e-02 4.10 9.438929577e-02 9.438929577e-02 4.12 9.918788870e-02 9.918788870e-02 4.14 1.036994973e-01 1.036994973e-01 4.16 1.079398291e-01 1.079398291e-01 4.18 1.119237429e-01 1.119237429e-01 4.20 1.156652916e-01 1.156652916e-01 4.22 1.191777621e-01 1.191777621e-01 4.24 1.224737153e-01 1.224737153e-01 4.26 1.255650237e-01 1.255650237e-01 4.28 1.284629077e-01 1.284629077e-01 4.30 1.311779703e-01 1.311779703e-01 4.32 1.337202301e-01 1.337202301e-01 4.34 1.360991529e-01 1.360991529e-01 4.36 1.383236819e-01 1.383236819e-01 4.38 1.404022656e-01 1.404022656e-01 4.40 1.423428850e-01 1.423428850e-01 4.42 1.441530791e-01 1.441530791e-01 4.44 1.458399691e-01 1.458399691e-01 4.46 1.474102809e-01 1.474102809e-01 4.48 1.488703671e-01 1.488703671e-01 4.50 1.502262268e-01 1.502262268e-01 4.52 1.514835256e-01 1.514835256e-01 4.54 1.526476130e-01 1.526476130e-01 4.56 1.537235402e-01 1.537235402e-01 4.58 1.547160760e-01 1.547160760e-01 4.60 1.556297223e-01 1.556297223e-01 4.62 1.564687285e-01 1.564687285e-01 4.64 1.572371055e-01 1.572371055e-01 4.66 1.579386383e-01 1.579386383e-01 4.68 1.585768988e-01 1.585768988e-01 4.70 1.591552568e-01 1.591552568e-01 4.72 1.596768915e-01 1.596768915e-01 4.74 1.601448019e-01 1.601448019e-01 4.76 1.605618166e-01 1.605618166e-01 4.78 1.609306031e-01 1.609306031e-01 4.80 1.612536766e-01 1.612536766e-01 4.82 1.615334089e-01 1.615334089e-01 4.84 1.617720358e-01 1.617720358e-01 4.86 1.619716650e-01 1.619716650e-01 4.88 1.621342832e-01 1.621342832e-01 4.90 1.622617628e-01 1.622617628e-01 4.92 1.616619976e-01 1.616619976e-01 4.94 1.515959428e-01 1.515959428e-01 4.96 1.122551970e-01 1.122551970e-01 4.98 3.831273453e-02 3.831273453e-02 5.00 -3.829543885e-23 -3.830549706e-23 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 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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