element(s):
['Cu']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6146']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:55:27      -13.893208        0.0061
BFGS:    1 16:55:27      -13.893209        0.0054
BFGS:    2 16:55:27      -13.893215        0.0000
BFGS:    3 16:55:27      -13.893215        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3693251289447624e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['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 4.06429744e-40 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6153061124855146, -7.091399154144156e-35, 1.3972397790855743e-37], [1.4184937579845944e-34, 3.6153061124855146, 1.514948162086077e-23], [-4.79068524879748e-35, 1.5149481620931922e-23, 3.6153061124855146]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.36932513e-10 -1.36932513e-10 -1.36932513e-10 -1.64344460e-26
 -2.51477446e-33 -3.50859484e-49]
energy per atom =  -3.473303689814609
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0