element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:40:58      -63.774697        0.5865
BFGS:    1 15:40:59      -63.787760        0.5221
BFGS:    2 15:40:59      -63.815105        0.2500
BFGS:    3 15:40:59      -63.817361        0.1936
BFGS:    4 15:40:59      -63.820775        0.0940
BFGS:    5 15:40:59      -63.822155        0.0842
BFGS:    6 15:41:00      -63.822739        0.0811
BFGS:    7 15:41:00      -63.823141        0.0675
BFGS:    8 15:41:00      -63.823828        0.0461
BFGS:    9 15:41:00      -63.824555        0.0544
BFGS:   10 15:41:00      -63.825006        0.0360
BFGS:   11 15:41:01      -63.825120        0.0138
BFGS:   12 15:41:01      -63.825138        0.0058
BFGS:   13 15:41:01      -63.825141        0.0022
BFGS:   14 15:41:01      -63.825142        0.0004
BFGS:   15 15:41:01      -63.825142        0.0001
BFGS:   16 15:41:02      -63.825142        0.0000
BFGS:   17 15:41:02      -63.825142        0.0000
BFGS:   18 15:41:02      -63.825142        0.0000
BFGS:   19 15:41:02      -63.825142        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.3742752313878693e-09 eV/Angstrom
Maximum stress component: 4.2833336476961514e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[7.83883688e-36 0.00000000e+00 9.43003627e-02]
 [1.22247050e-35 0.00000000e+00 5.94300363e-01]
 [2.97815855e-35 0.00000000e+00 9.05699637e-01]
 [0.00000000e+00 0.00000000e+00 4.05699637e-01]
 [3.33333333e-01 6.66666667e-01 6.54286273e-01]
 [6.66666667e-01 3.33333333e-01 1.54286273e-01]
 [6.66666667e-01 3.33333333e-01 3.45713727e-01]
 [3.33333333e-01 6.66666667e-01 8.45713727e-01]]
cellpar =  Cell([[2.512844024792326, 4.616331771302627e-18, 3.1067122549521466e-37], [-1.256422012396163, 2.1761867612180876, 6.097892006032067e-37], [1.834443708810253e-36, 1.3190525649319112e-37, 8.181865572617328]])
forces =  [[-8.25951838e-32  1.07294291e-31  1.37427523e-09]
 [ 8.25951838e-32  2.23073334e-47  1.37427523e-09]
 [-6.19463879e-32 -3.57647637e-32 -1.37427523e-09]
 [ 1.03243980e-32  8.94119093e-32 -1.37427523e-09]
 [ 4.12975919e-32 -7.15295274e-32 -7.63206592e-11]
 [-4.12975919e-32  7.15295274e-32 -7.63206592e-11]
 [-1.23892776e-31  1.00281300e-48  7.63206592e-11]
 [ 1.04534530e-31 -3.80000614e-32  7.63206592e-11]]
stress =  [-4.28333365e-11 -4.28333365e-11  3.17852818e-11  7.38415288e-33
  1.27897280e-32 -4.47468358e-27]
energy per atom =  -0.664417464280679
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0