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 12:16:22      -50.962620         0.272998
BFGS:    1 12:16:22      -50.965773         0.265939
BFGS:    2 12:16:22      -50.998929         0.176415
BFGS:    3 12:16:22      -51.018782         0.088571
BFGS:    4 12:16:22      -51.025558         0.002525
BFGS:    5 12:16:22      -51.025564         0.000018
BFGS:    6 12:16:22      -51.025564         0.000000
BFGS:    7 12:16:22      -51.025564         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.6206878439478506e-31 eV/Angstrom
Maximum stress component: 1.0467540107329955e-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]
 [1.16001691e-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]
 [0.00000000e+00 0.00000000e+00 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, 9.877615382300461e-33, -1.1816211757916617e-33], [1.070948559277565e-32, 5.898429252894398, -2.1723911433208315e-18], [1.6535582603769175e-34, -2.172391143320831e-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]
 [-2.12052615e-32  6.05864615e-32  8.33063845e-32]
 [-1.36319538e-32 -2.72639077e-32 -6.81597691e-32]
 [-1.70399423e-32  3.63518769e-32 -4.54398461e-32]
 [-9.08796922e-32 -4.08958615e-32  1.81759384e-32]
 [-8.17917230e-32  5.14984922e-32  9.99676614e-32]
 [ 6.58877768e-32 -2.57492461e-32 -1.18143600e-31]
 [-6.05864615e-33 -1.51466154e-33  1.24391579e-31]
 [-2.27199230e-32  5.45278153e-32  1.62068784e-31]]
stress =  [-1.04675401e-15 -1.04675401e-15 -1.04675401e-15  1.90553072e-32
  1.47617032e-35 -3.21518004e-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