# 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 = CFeMn2 # 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 3.932071942e+02 3.932071942e+02 1.00 3.652195412e+02 3.652195412e+02 1.02 3.394845978e+02 3.394845978e+02 1.04 3.157954875e+02 3.157954875e+02 1.06 2.939669303e+02 2.939669303e+02 1.08 2.738326975e+02 2.738326975e+02 1.10 2.552433983e+02 2.552433983e+02 1.12 2.380645567e+02 2.380645567e+02 1.14 2.221749352e+02 2.221749352e+02 1.16 2.074650675e+02 2.074650675e+02 1.18 1.938359744e+02 1.938359744e+02 1.20 1.811980368e+02 1.811980368e+02 1.22 1.694700025e+02 1.694700025e+02 1.24 1.585781120e+02 1.585781120e+02 1.26 1.484553258e+02 1.484553258e+02 1.28 1.390406398e+02 1.390406398e+02 1.30 1.302784796e+02 1.302784796e+02 1.32 1.221181611e+02 1.221181611e+02 1.34 1.145134114e+02 1.145134114e+02 1.36 1.074219416e+02 1.074219416e+02 1.38 1.008050654e+02 1.008050654e+02 1.40 9.467629374e+01 9.467629374e+01 1.42 9.012844366e+01 9.012844366e+01 1.44 8.677644942e+01 8.677644942e+01 1.46 8.382945796e+01 8.382945796e+01 1.48 8.084426783e+01 8.084426783e+01 1.50 7.760618463e+01 7.760618463e+01 1.52 7.404580898e+01 7.404580898e+01 1.54 7.018081309e+01 7.018081309e+01 1.56 6.607614636e+01 6.607614636e+01 1.58 6.181759911e+01 6.181759911e+01 1.60 5.749494196e+01 5.749494196e+01 1.62 5.319181694e+01 5.319181694e+01 1.64 4.898027570e+01 4.898027570e+01 1.66 4.491844054e+01 4.491844054e+01 1.68 4.105017100e+01 4.105017100e+01 1.70 3.740595438e+01 3.740595438e+01 1.72 3.400446953e+01 3.400446953e+01 1.74 3.085444782e+01 3.085444782e+01 1.76 2.795659244e+01 2.795659244e+01 1.78 2.530540026e+01 2.530540026e+01 1.80 2.289080088e+01 2.289080088e+01 1.82 2.069957270e+01 2.069957270e+01 1.84 1.871652246e+01 1.871652246e+01 1.86 1.692543773e+01 1.692543773e+01 1.88 1.530983308e+01 1.530983308e+01 1.90 1.398255412e+01 1.398255412e+01 1.92 1.407243639e+01 1.407243639e+01 1.94 1.508740799e+01 1.508740799e+01 1.96 1.637813526e+01 1.637813526e+01 1.98 1.755406662e+01 1.755406662e+01 2.00 1.840445169e+01 1.840445169e+01 2.02 1.883916521e+01 1.883916521e+01 2.04 1.884562305e+01 1.884562305e+01 2.06 1.845801328e+01 1.845801328e+01 2.08 1.773577706e+01 1.773577706e+01 2.10 1.674890968e+01 1.674890968e+01 2.12 1.556835915e+01 1.556835915e+01 2.14 1.426021232e+01 1.426021232e+01 2.16 1.288249693e+01 1.288249693e+01 2.18 1.148377366e+01 1.148377366e+01 2.20 1.010291211e+01 1.010291211e+01 2.22 8.769605437e+00 8.769605437e+00 2.24 7.505316171e+00 7.505316171e+00 2.26 6.324431265e+00 6.324431265e+00 2.28 5.235471776e+00 5.235471776e+00 2.30 4.242262470e+00 4.242262470e+00 2.32 3.345003262e+00 3.345003262e+00 2.34 2.541210069e+00 2.541210069e+00 2.36 1.826515165e+00 1.826515165e+00 2.38 1.195327198e+00 1.195327198e+00 2.40 6.413607252e-01 6.413607252e-01 2.42 1.580874669e-01 1.580874669e-01 2.44 -2.609496554e-01 -2.609496554e-01 2.46 -6.219792589e-01 -6.219792589e-01 2.48 -9.308508456e-01 -9.308508456e-01 2.50 -1.192937360e+00 -1.192937360e+00 2.52 -1.413107510e+00 -1.413107510e+00 2.54 -1.595781759e+00 -1.595781759e+00 2.56 -1.744982815e+00 -1.744982815e+00 2.58 -1.864368642e+00 -1.864368642e+00 2.60 -1.957262599e+00 -1.957262599e+00 2.62 -2.026681451e+00 -2.026681451e+00 2.64 -2.075368549e+00 -2.075368549e+00 2.66 -2.105816368e+00 -2.105816368e+00 2.68 -2.120278534e+00 -2.120278534e+00 2.70 -2.120789798e+00 -2.120789798e+00 2.72 -2.109184867e+00 -2.109184867e+00 2.74 -2.087115730e+00 -2.087115730e+00 2.76 -2.056067621e+00 -2.056067621e+00 2.78 -2.017373652e+00 -2.017373652e+00 2.80 -1.972228283e+00 -1.972228283e+00 2.82 -1.921699701e+00 -1.921699701e+00 2.84 -1.866741162e+00 -1.866741162e+00 2.86 -1.808201427e+00 -1.808201427e+00 2.88 -1.746834331e+00 -1.746834331e+00 2.90 -1.683307547e+00 -1.683307547e+00 2.92 -1.618210641e+00 -1.618210641e+00 2.94 -1.552062441e+00 -1.552062441e+00 2.96 -1.485317783e+00 -1.485317783e+00 2.98 -1.418373704e+00 -1.418373704e+00 3.00 -1.351575085e+00 -1.351575085e+00 3.02 -1.285227120e+00 -1.285227120e+00 3.04 -1.219672921e+00 -1.219672921e+00 3.06 -1.155153984e+00 -1.155153984e+00 3.08 -1.091504764e+00 -1.091504764e+00 3.10 -1.029105352e+00 -1.029105352e+00 3.12 -9.680863897e-01 -9.680863897e-01 3.14 -9.085498352e-01 -9.085498352e-01 3.16 -8.505761861e-01 -8.505761861e-01 3.18 -7.942269333e-01 -7.942269333e-01 3.20 -7.395467919e-01 -7.395467919e-01 3.22 -6.865657181e-01 -6.865657181e-01 3.24 -6.353007369e-01 -6.353007369e-01 3.26 -5.857575921e-01 -5.857575921e-01 3.28 -5.379322343e-01 -5.379322343e-01 3.30 -4.918121618e-01 -4.918121618e-01 3.32 -4.473776254e-01 -4.473776254e-01 3.34 -4.046027095e-01 -4.046027095e-01 3.36 -3.634563011e-01 -3.634563011e-01 3.38 -3.239029538e-01 -3.239029538e-01 3.40 -2.859036603e-01 -2.859036603e-01 3.42 -2.494165374e-01 -2.494165374e-01 3.44 -2.143974346e-01 -2.143974346e-01 3.46 -1.808004718e-01 -1.808004718e-01 3.48 -1.485785129e-01 -1.485785129e-01 3.50 -1.176835815e-01 -1.176835815e-01 3.52 -8.806722406e-02 -8.806722406e-02 3.54 -5.968082544e-02 -5.968082544e-02 3.56 -3.247588135e-02 -3.247588135e-02 3.58 -6.404231592e-03 -6.404231592e-03 3.60 1.858174209e-02 1.858174209e-02 3.62 4.252895023e-02 4.252895023e-02 3.64 6.548345965e-02 6.548345965e-02 3.66 8.749038392e-02 8.749038392e-02 3.68 1.085937986e-01 1.085937986e-01 3.70 1.288366798e-01 1.288366798e-01 3.72 1.482608629e-01 1.482608629e-01 3.74 1.669070227e-01 1.669070227e-01 3.76 1.848146723e-01 1.848146723e-01 3.78 2.020221798e-01 2.020221798e-01 3.80 2.185668051e-01 2.185668051e-01 3.82 2.344847550e-01 2.344847550e-01 3.84 2.498112578e-01 2.498112578e-01 3.86 2.645806613e-01 2.645806613e-01 3.88 2.788265538e-01 2.788265538e-01 3.90 2.925819144e-01 2.925819144e-01 3.92 3.058792993e-01 3.058792993e-01 3.94 3.187510696e-01 3.187510696e-01 3.96 3.312296768e-01 3.312296768e-01 3.98 3.433480217e-01 3.433480217e-01 4.00 3.551399142e-01 3.551399142e-01 4.02 3.666406735e-01 3.666406735e-01 4.04 3.778879289e-01 3.778879289e-01 4.06 3.889227151e-01 3.889227151e-01 4.08 3.997910147e-01 3.997910147e-01 4.10 4.105459988e-01 4.105459988e-01 4.12 4.212514073e-01 4.212514073e-01 4.14 4.319868730e-01 4.319868730e-01 4.16 4.428567604e-01 4.428567604e-01 4.18 4.540058277e-01 4.540058277e-01 4.20 4.656494208e-01 4.656494208e-01 4.22 4.781387549e-01 4.781387549e-01 4.24 4.921278861e-01 4.921278861e-01 4.26 5.091383855e-01 5.091383855e-01 4.28 5.351678424e-01 5.351678424e-01 4.30 5.841949888e-01 5.841949888e-01 4.32 5.895051578e-01 5.895051578e-01 4.34 5.927521231e-01 5.927521231e-01 4.36 5.949911347e-01 5.949911347e-01 4.38 5.965622917e-01 5.965622917e-01 4.40 5.976330170e-01 5.976330170e-01 4.42 5.983031956e-01 5.983031956e-01 4.44 5.986396092e-01 5.986396092e-01 4.46 5.986904154e-01 5.986904154e-01 4.48 5.984922519e-01 5.984922519e-01 4.50 5.980741156e-01 5.980741156e-01 4.52 5.974596558e-01 5.974596558e-01 4.54 5.966686146e-01 5.966686146e-01 4.56 5.957177790e-01 5.957177790e-01 4.58 5.946216357e-01 5.946216357e-01 4.60 5.933928365e-01 5.933928365e-01 4.62 5.920425400e-01 5.920425400e-01 4.64 5.905806684e-01 5.905806684e-01 4.66 5.890161047e-01 5.890161047e-01 4.68 5.873568472e-01 5.873568472e-01 4.70 5.856101328e-01 5.856101328e-01 4.72 5.837825371e-01 5.837825371e-01 4.74 5.818800559e-01 5.818800559e-01 4.76 5.799081737e-01 5.799081737e-01 4.78 5.778719211e-01 5.778719211e-01 4.80 5.757759229e-01 5.757759229e-01 4.82 5.736244406e-01 5.736244406e-01 4.84 5.714214078e-01 5.714214078e-01 4.86 5.691704617e-01 5.691704617e-01 4.88 5.668749708e-01 5.668749708e-01 4.90 5.645380590e-01 5.645380590e-01 4.92 5.603035897e-01 5.603035897e-01 4.94 5.305401344e-01 5.305401344e-01 4.96 4.184166724e-01 4.184166724e-01 4.98 1.869815088e-01 1.869815088e-01 5.00 -2.959318735e-23 -2.958845063e-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