element(s):
['Cu', 'Mg']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.0329']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Mg']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.0329, 0, 0], [0, 7.0329, 0], [0, 0, 7.0329]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:50:57      -72.082554        0.0017
BFGS:    1 14:50:57      -72.082555        0.0017
BFGS:    2 14:50:57      -72.082558        0.0000
BFGS:    3 14:50:57      -72.082558        0.0000
Minimization converged after 3 steps.
Maximum force component: 6.547081007973508e-32 eV/Angstrom
Maximum stress component: 1.2011091182535095e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.57861341e-17 1.00000000e+00]
 [1.00000000e+00 1.57861341e-17 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 1.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[7.0333216862635615, -3.6510581534913327e-35, -8.506122393641857e-36], [3.651058199398362e-35, 7.0333216862635615, 1.4961544359411421e-24], [-2.6280198996246377e-34, 1.496154435995908e-24, 7.0333216862635615]])
forces =  [[ 2.68656083e-32 -2.16730958e-32 -4.61038181e-57]
 [-1.89639588e-32 -4.80248105e-57 -2.25761414e-32]
 [-1.15138321e-32 -1.89639588e-32 -1.80609131e-33]
 [-2.52852784e-32 -7.22436525e-33 -6.32131959e-33]
 [-4.33461915e-32  6.32131959e-32  2.34791871e-32]
 [-3.34126893e-32  3.25096436e-32  7.67588808e-33]
 [ 4.33461915e-32  3.61218263e-33  4.51522828e-33]
 [-9.03045656e-34 -2.16730958e-32 -2.25761414e-32]
 [-1.80609131e-33  6.54708101e-32 -1.44487305e-32]
 [-1.62548218e-32  4.69583741e-32 -9.93350222e-33]
 [-1.80609131e-32 -1.44487305e-32  2.88974610e-32]
 [-8.57893373e-33 -4.51522828e-33  4.51522828e-33]
 [ 1.80609131e-32 -2.16730958e-32  9.03045656e-34]
 [-1.26426392e-32  5.41827394e-33 -1.98670044e-32]
 [ 3.61218263e-32 -2.52852784e-32 -6.54708101e-33]
 [ 3.61218263e-32 -7.22436525e-33 -1.53679394e-57]
 [ 3.61218263e-33  4.69583741e-32  3.61218263e-32]
 [-3.61218263e-33 -1.44487305e-32  5.41827394e-33]
 [ 3.61218263e-33  2.16730958e-32  7.22436525e-33]
 [-5.41827394e-33  1.62548218e-32  1.80609131e-32]
 [-1.44487305e-32 -2.21246186e-32 -7.22436525e-33]
 [-1.43076296e-32 -3.43157349e-32 -7.29977119e-57]
 [-9.93350222e-33  1.44487305e-32  1.80609131e-33]
 [ 1.80609131e-32 -3.61218263e-33 -1.08365479e-32]]
stress =  [-1.20110912e-11 -1.20110912e-11 -1.20110912e-11 -2.66699799e-27
  9.22943175e-62 -9.41374964e-63]
energy per atom =  -3.003439919374479
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0