element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:27:49      -50.619032         4.763437
BFGS:    1 16:27:49      -51.824918         1.440393
BFGS:    2 16:27:49      -51.996939         0.458173
BFGS:    3 16:27:49      -52.011025         0.436767
BFGS:    4 16:27:49      -52.021241         0.391931
BFGS:    5 16:27:49      -52.052389         0.166561
BFGS:    6 16:27:49      -52.056841         0.174294
BFGS:    7 16:27:49      -52.057444         0.158156
BFGS:    8 16:27:50      -52.059024         0.098282
BFGS:    9 16:27:50      -52.060517         0.114994
BFGS:   10 16:27:50      -52.061798         0.069885
BFGS:   11 16:27:50      -52.062029         0.017552
BFGS:   12 16:27:50      -52.062052         0.001539
BFGS:   13 16:27:50      -52.062052         0.000029
BFGS:   14 16:27:50      -52.062052         0.000001
BFGS:   15 16:27:50      -52.062052         0.000000
BFGS:   16 16:27:50      -52.062052         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.676350445773394e-10 eV/Angstrom
Maximum stress component: 4.45374503111087e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.07286679e-01 8.07286679e-01 6.18566991e-34]
 [1.92713321e-01 1.92713321e-01 7.73208738e-35]
 [1.92713321e-01 8.07286679e-01 6.18566991e-34]
 [8.07286679e-01 1.92713321e-01 1.54641748e-34]
 [3.07286679e-01 3.07286679e-01 5.00000000e-01]
 [6.92713321e-01 6.92713321e-01 5.00000000e-01]
 [6.92713321e-01 3.07286679e-01 5.00000000e-01]
 [3.07286679e-01 6.92713321e-01 5.00000000e-01]]
cellpar =  Cell([[4.314657326914323, -3.029943144136324e-36, 7.443037000478404e-33], [1.8609582713555687e-36, 4.314657326914324, 5.181037243143398e-18], [-2.1684024774830867e-33, 2.9412834753231215e-18, 2.490827960606542]])
forces =  [[-4.67635045e-10 -4.67635045e-10 -5.61597210e-28]
 [ 4.67635045e-10  4.67635045e-10  5.61604886e-28]
 [ 4.67635045e-10 -4.67635045e-10 -5.61720018e-28]
 [-4.67635045e-10  4.67635045e-10  5.61566508e-28]
 [-4.67635045e-10 -4.67635045e-10 -5.61597210e-28]
 [ 4.67635045e-10  4.67635045e-10  5.61597210e-28]
 [ 4.67635045e-10 -4.67635045e-10 -5.61720018e-28]
 [-4.67635045e-10  4.67635045e-10  5.61597210e-28]]
stress =  [ 4.45374503e-11  4.45374503e-11 -5.66205017e-12  5.87598681e-27
  3.72746676e-33 -8.44656455e-49]
energy per atom =  -6.50775655153192
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0