element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:47       -2.168273         1.338040
BFGS:    1 17:28:47       -2.215745         0.342859
BFGS:    2 17:28:47       -2.219441         0.034104
BFGS:    3 17:28:47       -2.219480         0.001026
BFGS:    4 17:28:47       -2.219480         0.000003
BFGS:    5 17:28:47       -2.219480         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.745524470877639e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8209228881201567, -3.1720647708888625e-33, 1.639570319831491e-33], [-3.3197085003789974e-33, 1.8209228881201567, 1.1970580744430022e-19], [-1.6674723407405465e-33, 1.1970580744430094e-19, 1.8209228881201567]])
forces =  [[0. 0. 0.]]
stress =  [-4.74552447e-11 -4.74552447e-11 -4.74552447e-11  1.31435939e-29
  6.19806736e-34  1.74223291e-52]
energy per atom =  -2.2194796864547914
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0