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_2018_AlCuH__SM_834012669168_000
==== 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 16:58:43      -50.962620         0.272998
BFGS:    1 16:58:43      -50.965773         0.265939
BFGS:    2 16:58:44      -50.998929         0.176415
BFGS:    3 16:58:44      -51.018782         0.088571
BFGS:    4 16:58:44      -51.025558         0.002525
BFGS:    5 16:58:45      -51.025564         0.000018
BFGS:    6 16:58:45      -51.025564         0.000000
BFGS:    7 16:58:46      -51.025564         0.000000
Minimization converged after 7 steps.
Maximum force component: 7.05832275962335e-31 eV/Angstrom
Maximum stress component: 1.0445899917599906e-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]
 [2.32003381e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.26515732e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.16001691e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [9.06263209e-52 3.26515732e-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, 9.92115081087595e-33, -5.5371650011675755e-34], [1.0698601764600662e-32, 5.898429252894398, -2.172391168492043e-18], [-6.860750109826062e-35, -2.1723911684920426e-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]
 [-8.78503691e-32  7.87623999e-32  4.99838307e-31]
 [ 4.54398461e-33 -5.14984922e-32  6.04349953e-31]
 [-1.07919634e-31  6.05864615e-32 -5.11955599e-31]
 [-3.33225538e-32  3.18078923e-32 -4.51369138e-31]
 [-3.02932307e-33  7.57330768e-32 -4.27134553e-31]
 [-5.52851461e-32  3.02932307e-32 -7.05832276e-31]
 [-1.90847354e-31 -2.57492461e-32  5.39314173e-31]
 [-7.42184153e-32  7.87623999e-32  5.84659353e-31]]
stress =  [-1.04458999e-15 -1.04458999e-15 -1.04458999e-15 -3.27577684e-33
  7.38085159e-36 -1.62869767e-53]
energy per atom =  -3.189097742805293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0