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 14:13:53       -2.168273        1.3380
BFGS:    1 14:13:53       -2.215745        0.3429
BFGS:    2 14:13:53       -2.219441        0.0341
BFGS:    3 14:13:53       -2.219480        0.0010
BFGS:    4 14:13:53       -2.219480        0.0000
BFGS:    5 14:13:53       -2.219480        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.745236391522745e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8209228881201573, -3.169815132089631e-33, 1.4966084901160849e-33], [-3.3814007942280756e-33, 1.8209228881201573, 1.191398239897796e-19], [-1.9385013636360126e-33, 1.1913982398978044e-19, 1.8209228881201573]])
forces =  [[0. 0. 0.]]
stress =  [-4.74523639e-11 -4.74523639e-11 -4.74523639e-11  2.17253932e-27
  1.54890973e-34 -6.96331846e-51]
energy per atom =  -2.21947968645479
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0