element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8417']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Cu']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.8417, 0, 0], [0, 5.8417, 0], [0, 0, 5.8417]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:15:51      -50.962620         0.272998
BFGS:    1 13:15:51      -50.965773         0.265939
BFGS:    2 13:15:52      -50.998929         0.176415
BFGS:    3 13:15:52      -51.018782         0.088571
BFGS:    4 13:15:53      -51.025558         0.002525
BFGS:    5 13:15:53      -51.025564         0.000018
BFGS:    6 13:15:53      -51.025564         0.000000
BFGS:    7 13:15:54      -51.025564         0.000000
Minimization converged after 7 steps.
Maximum force component: 2.3931652275117794e-31 eV/Angstrom
Maximum stress component: 1.0972477867697298e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.26515732e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 4.89773598e-35 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.898429252894398, 2.1690852045813845e-32, -3.0308743582173074e-34], [7.461969877911405e-33, 5.898429252894398, -1.2923239920330662e-18], [8.478661331663243e-33, -1.2923239920330943e-18, 5.898429252894398]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.05864615e-32 -1.45407507e-31  1.81759384e-31]
 [-3.78665384e-32  1.08676965e-31  6.81597691e-32]
 [-3.78665384e-32 -1.40863523e-31  5.45278153e-32]
 [ 1.21172923e-32  8.48210460e-32 -1.09055631e-31]
 [ 4.84691692e-32 -1.36319538e-31 -1.02996984e-31]
 [ 7.19464230e-33  2.30985884e-31 -2.39316523e-31]
 [ 2.12052615e-32  2.31743215e-31 -2.25305904e-32]
 [ 1.51466154e-32 -1.18143600e-31 -8.70930383e-33]]
stress =  [-1.09724779e-15 -1.09724779e-15 -1.09724779e-15  5.09423154e-32
  1.03331922e-34  2.33579367e-51]
energy per atom =  -3.18909774280529
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0