# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--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 2.766707634e+02 2.766707634e+02 0.94 2.596016960e+02 2.596016960e+02 0.96 2.435037855e+02 2.435037855e+02 0.98 2.283238053e+02 2.283238053e+02 1.00 2.140114653e+02 2.140114653e+02 1.02 2.005192380e+02 2.005192380e+02 1.04 1.878021959e+02 1.878021959e+02 1.06 1.758178598e+02 1.758178598e+02 1.08 1.645260576e+02 1.645260576e+02 1.10 1.538887923e+02 1.538887923e+02 1.12 1.438701183e+02 1.438701183e+02 1.14 1.344360261e+02 1.344360261e+02 1.16 1.255543343e+02 1.255543343e+02 1.18 1.171945881e+02 1.171945881e+02 1.20 1.093279651e+02 1.093279651e+02 1.22 1.019271854e+02 1.019271854e+02 1.24 9.496642847e+01 9.496642847e+01 1.26 8.842125449e+01 8.842125449e+01 1.28 8.226853010e+01 8.226853010e+01 1.30 7.648635888e+01 7.648635888e+01 1.32 7.105401559e+01 7.105401559e+01 1.34 6.595188419e+01 6.595188419e+01 1.36 6.116139934e+01 6.116139934e+01 1.38 5.666499113e+01 5.666499113e+01 1.40 5.244603284e+01 5.244603284e+01 1.42 4.848879151e+01 4.848879151e+01 1.44 4.477838122e+01 4.477838122e+01 1.46 4.130071878e+01 4.130071878e+01 1.48 3.804248186e+01 3.804248186e+01 1.50 3.499106920e+01 3.499106920e+01 1.52 3.213456304e+01 3.213456304e+01 1.54 2.946169338e+01 2.946169338e+01 1.56 2.696180415e+01 2.696180415e+01 1.58 2.462482111e+01 2.462482111e+01 1.60 2.244122142e+01 2.244122142e+01 1.62 2.040200469e+01 2.040200469e+01 1.64 1.849866566e+01 1.849866566e+01 1.66 1.672316810e+01 1.672316810e+01 1.68 1.506792017e+01 1.506792017e+01 1.70 1.352575099e+01 1.352575099e+01 1.72 1.208988839e+01 1.208988839e+01 1.74 1.075393783e+01 1.075393783e+01 1.76 9.511862351e+00 9.511862351e+00 1.78 8.357963595e+00 8.357963595e+00 1.80 7.286863757e+00 7.286863757e+00 1.82 6.293488480e+00 6.293488480e+00 1.84 5.373050620e+00 5.373050620e+00 1.86 4.521034837e+00 4.521034837e+00 1.88 3.733182988e+00 3.733182988e+00 1.90 3.005480267e+00 3.005480267e+00 1.92 2.334142053e+00 2.334142053e+00 1.94 1.715601443e+00 1.715601443e+00 1.96 1.146497433e+00 1.146497433e+00 1.98 6.236637047e-01 6.236637047e-01 2.00 1.441179962e-01 1.441179962e-01 2.02 -2.949479685e-01 -2.949479685e-01 2.04 -6.961780316e-01 -6.961780316e-01 2.06 -1.062060649e+00 -1.062060649e+00 2.08 -1.394937463e+00 -1.394937463e+00 2.10 -1.697011430e+00 -1.697011430e+00 2.12 -1.970354516e+00 -1.970354516e+00 2.14 -2.216914979e+00 -2.216914979e+00 2.16 -2.438524282e+00 -2.438524282e+00 2.18 -2.636903624e+00 -2.636903624e+00 2.20 -2.813670130e+00 -2.813670130e+00 2.22 -2.970342710e+00 -2.970342710e+00 2.24 -3.108347604e+00 -3.108347604e+00 2.26 -3.229023631e+00 -3.229023631e+00 2.28 -3.333627154e+00 -3.333627154e+00 2.30 -3.423336779e+00 -3.423336779e+00 2.32 -3.499257798e+00 -3.499257798e+00 2.34 -3.562426396e+00 -3.562426396e+00 2.36 -3.613813620e+00 -3.613813620e+00 2.38 -3.654329146e+00 -3.654329146e+00 2.40 -3.684824826e+00 -3.684824826e+00 2.42 -3.706098049e+00 -3.706098049e+00 2.44 -3.718894919e+00 -3.718894919e+00 2.46 -3.723913250e+00 -3.723913250e+00 2.48 -3.721805404e+00 -3.721805404e+00 2.50 -3.713180966e+00 -3.713180966e+00 2.52 -3.698609279e+00 -3.698609279e+00 2.54 -3.678621823e+00 -3.678621823e+00 2.56 -3.653714480e+00 -3.653714480e+00 2.58 -3.624349658e+00 -3.624349658e+00 2.60 -3.590958300e+00 -3.590958300e+00 2.62 -3.553941786e+00 -3.553941786e+00 2.64 -3.513673717e+00 -3.513673717e+00 2.66 -3.470501607e+00 -3.470501607e+00 2.68 -3.424748476e+00 -3.424748476e+00 2.70 -3.376714351e+00 -3.376714351e+00 2.72 -3.326677683e+00 -3.326677683e+00 2.74 -3.274896684e+00 -3.274896684e+00 2.76 -3.221610581e+00 -3.221610581e+00 2.78 -3.167040810e+00 -3.167040810e+00 2.80 -3.111392129e+00 -3.111392129e+00 2.82 -3.054853673e+00 -3.054853673e+00 2.84 -2.997599944e+00 -2.997599944e+00 2.86 -2.939791749e+00 -2.939791749e+00 2.88 -2.881577076e+00 -2.881577076e+00 2.90 -2.823091925e+00 -2.823091925e+00 2.92 -2.764461084e+00 -2.764461084e+00 2.94 -2.705798866e+00 -2.705798866e+00 2.96 -2.647209798e+00 -2.647209798e+00 2.98 -2.588789265e+00 -2.588789265e+00 3.00 -2.530624128e+00 -2.530624128e+00 3.02 -2.472793293e+00 -2.472793293e+00 3.04 -2.415368249e+00 -2.415368249e+00 3.06 -2.358413577e+00 -2.358413577e+00 3.08 -2.301987427e+00 -2.301987427e+00 3.10 -2.246141960e+00 -2.246141960e+00 3.12 -2.190923774e+00 -2.190923774e+00 3.14 -2.136374293e+00 -2.136374293e+00 3.16 -2.082530138e+00 -2.082530138e+00 3.18 -2.029423474e+00 -2.029423474e+00 3.20 -1.977082338e+00 -1.977082338e+00 3.22 -1.925530939e+00 -1.925530939e+00 3.24 -1.874789947e+00 -1.874789947e+00 3.26 -1.824876760e+00 -1.824876760e+00 3.28 -1.775805755e+00 -1.775805755e+00 3.30 -1.727588526e+00 -1.727588526e+00 3.32 -1.680234098e+00 -1.680234098e+00 3.34 -1.633749138e+00 -1.633749138e+00 3.36 -1.588138145e+00 -1.588138145e+00 3.38 -1.543403631e+00 -1.543403631e+00 3.40 -1.499546291e+00 -1.499546291e+00 3.42 -1.456565157e+00 -1.456565157e+00 3.44 -1.414457749e+00 -1.414457749e+00 3.46 -1.373220209e+00 -1.373220209e+00 3.48 -1.332847430e+00 -1.332847430e+00 3.50 -1.293333178e+00 -1.293333178e+00 3.52 -1.254670201e+00 -1.254670201e+00 3.54 -1.216850334e+00 -1.216850334e+00 3.56 -1.179864596e+00 -1.179864596e+00 3.58 -1.143703278e+00 -1.143703278e+00 3.60 -1.108356034e+00 -1.108356034e+00 3.62 -1.073811950e+00 -1.073811950e+00 3.64 -1.040059624e+00 -1.040059624e+00 3.66 -1.007087233e+00 -1.007087233e+00 3.68 -9.748825901e-01 -9.748825901e-01 3.70 -9.434332114e-01 -9.434332114e-01 3.72 -9.127263647e-01 -9.127263647e-01 3.74 -8.827491218e-01 -8.827491218e-01 3.76 -8.534884057e-01 -8.534884057e-01 3.78 -8.249310335e-01 -8.249310335e-01 3.80 -7.970637567e-01 -7.970637567e-01 3.82 -7.698640471e-01 -7.698640471e-01 3.84 -7.425099124e-01 -7.425099124e-01 3.86 -7.107072997e-01 -7.107072997e-01 3.88 -6.647690942e-01 -6.647690942e-01 3.90 -6.191709160e-01 -6.191709160e-01 3.92 -5.967070143e-01 -5.967070143e-01 3.94 -5.747880976e-01 -5.747880976e-01 3.96 -5.534038534e-01 -5.534038534e-01 3.98 -5.325441146e-01 -5.325441146e-01 4.00 -5.121988750e-01 -5.121988750e-01 4.02 -4.923583026e-01 -4.923583026e-01 4.04 -4.730127512e-01 -4.730127512e-01 4.06 -4.541527712e-01 -4.541527712e-01 4.08 -4.357691186e-01 -4.357691186e-01 4.10 -4.178527623e-01 -4.178527623e-01 4.12 -4.003948910e-01 -4.003948910e-01 4.14 -3.833869174e-01 -3.833869174e-01 4.16 -3.668204821e-01 -3.668204821e-01 4.18 -3.506874560e-01 -3.506874560e-01 4.20 -3.349799410e-01 -3.349799410e-01 4.22 -3.196902696e-01 -3.196902696e-01 4.24 -3.048110032e-01 -3.048110032e-01 4.26 -2.903349293e-01 -2.903349293e-01 4.28 -2.762550572e-01 -2.762550572e-01 4.30 -2.625646122e-01 -2.625646122e-01 4.32 -2.492570293e-01 -2.492570293e-01 4.34 -2.363259450e-01 -2.363259450e-01 4.36 -2.237651886e-01 -2.237651886e-01 4.38 -2.115687713e-01 -2.115687713e-01 4.40 -1.997308759e-01 -1.997308759e-01 4.42 -1.879067143e-01 -1.879067143e-01 4.44 -1.720416428e-01 -1.720416428e-01 4.46 -1.418986435e-01 -1.418986435e-01 4.48 -8.093682904e-02 -8.093682904e-02 4.50 -2.034530143e-22 -2.035009650e-22 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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