element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:31:36      -29.337106         0.562785
BFGS:    1 14:31:36      -29.342073         0.464021
BFGS:    2 14:31:36      -29.350947         0.164692
BFGS:    3 14:31:36      -29.352463         0.100932
BFGS:    4 14:31:36      -29.352946         0.012795
BFGS:    5 14:31:36      -29.352952         0.003680
BFGS:    6 14:31:36      -29.352953         0.003166
BFGS:    7 14:31:36      -29.352954         0.001302
BFGS:    8 14:31:36      -29.352954         0.000596
BFGS:    9 14:31:36      -29.352954         0.000085
BFGS:   10 14:31:36      -29.352954         0.000006
BFGS:   11 14:31:36      -29.352954         0.000000
BFGS:   12 14:31:36      -29.352954         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.331866793720444e-09 eV/Angstrom
Maximum stress component: 8.821604266680918e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06278184]
 [0.66666666 0.33333334 0.56278184]
 [0.66666666 0.33333334 0.93721816]
 [0.33333333 0.66666667 0.43721816]]
cellpar =  Cell([[2.5195434665118084, 3.17031625771795e-19, -5.930043114453988e-39], [-1.2597717332559042, 2.1819886479383332, -1.2571788195919018e-38], [-1.926962231571282e-38, 1.061749185698584e-37, 4.127560876037026]])
forces =  [[-9.31673128e-32  1.79300577e-32  8.33186679e-09]
 [-1.03519236e-31  7.17202308e-32  8.33186679e-09]
 [-9.31673128e-32 -1.25510404e-31 -8.33186679e-09]
 [-1.24223084e-31  1.07580346e-31 -8.33186679e-09]]
stress =  [ 8.29449342e-10  8.29449342e-10 -8.82160427e-10  1.09487483e-32
  3.16063139e-33  4.02870592e-25]
energy per atom =  -7.338238486205065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0