element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:51:31      -64.671031         0.339969
BFGS:    1 12:51:33      -64.674715         0.303856
BFGS:    2 12:51:34      -64.691754         0.229804
BFGS:    3 12:51:36      -64.692928         0.226407
BFGS:    4 12:51:37      -64.695015         0.224939
BFGS:    5 12:51:38      -64.705048         0.223128
BFGS:    6 12:51:39      -64.714273         0.223217
BFGS:    7 12:51:40      -64.723571         0.225076
BFGS:    8 12:51:41      -64.733027         0.259432
BFGS:    9 12:51:41      -64.742610         0.285865
BFGS:   10 12:51:42      -64.752264         0.305940
BFGS:   11 12:51:43      -64.761924         0.320364
BFGS:   12 12:51:44      -64.771521         0.329496
BFGS:   13 12:51:45      -64.780948         0.333493
BFGS:   14 12:51:46      -64.790070         0.332557
BFGS:   15 12:51:47      -64.798742         0.327321
BFGS:   16 12:51:48      -64.806848         0.319719
BFGS:   17 12:51:49      -64.814366         0.313711
BFGS:   18 12:51:51      -64.821440         0.314997
BFGS:   19 12:51:52      -64.828374         0.318732
BFGS:   20 12:51:53      -64.834846         0.281103
BFGS:   21 12:51:55      -64.840099         0.238950
BFGS:   22 12:51:56      -64.845526         0.256574
BFGS:   23 12:51:57      -64.852514         0.257096
BFGS:   24 12:51:59      -64.859980         0.232075
BFGS:   25 12:52:00      -64.866806         0.195119
BFGS:   26 12:52:02      -64.872658         0.152610
BFGS:   27 12:52:03      -64.877381         0.109328
BFGS:   28 12:52:04      -64.880937         0.068166
BFGS:   29 12:52:05      -64.883326         0.033152
BFGS:   30 12:52:07      -64.884536         0.016423
BFGS:   31 12:52:08      -64.884702         0.031664
BFGS:   32 12:52:10      -64.884724         0.028570
BFGS:   33 12:52:12      -64.884834         0.009352
BFGS:   34 12:52:13      -64.884838         0.008947
BFGS:   35 12:52:15      -64.884895         0.014208
BFGS:   36 12:52:17      -64.884929         0.015076
BFGS:   37 12:52:19      -64.884959         0.007509
BFGS:   38 12:52:21      -64.884965         0.006986
BFGS:   39 12:52:23      -64.884967         0.006101
BFGS:   40 12:52:24      -64.884969         0.004806
BFGS:   41 12:52:25      -64.884975         0.006497
BFGS:   42 12:52:26      -64.884982         0.006566
BFGS:   43 12:52:27      -64.884986         0.003465
BFGS:   44 12:52:28      -64.884987         0.000729
BFGS:   45 12:52:29      -64.884987         0.000061
BFGS:   46 12:52:31      -64.884987         0.000005
BFGS:   47 12:52:32      -64.884987         0.000000
BFGS:   48 12:52:33      -64.884987         0.000000
Minimization converged after 48 steps.
Maximum force component: 6.45367760924828e-09 eV/Angstrom
Maximum stress component: 2.779454581786917e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.52299987e-34 4.16725157e-01 2.50000000e-01]
 [5.27367173e-35 8.32748432e-02 2.50000000e-01]
 [0.00000000e+00 9.16725157e-01 7.50000000e-01]
 [0.00000000e+00 5.83274843e-01 7.50000000e-01]
 [5.00000000e-01 9.16725157e-01 2.50000000e-01]
 [5.00000000e-01 5.83274843e-01 2.50000000e-01]
 [5.00000000e-01 4.16725157e-01 7.50000000e-01]
 [5.00000000e-01 8.32748432e-02 7.50000000e-01]]
cellpar =  Cell([[2.456092411346184, 1.4560189717852685e-37, 0.0], [4.693666203930233e-37, 4.253238837719977, 0.0], [0.0, 0.0, 6.811934442894617]])
forces =  [[ 6.05473526e-32  6.45367761e-09  1.72856596e-10]
 [-3.02736763e-32 -6.45367761e-09  1.72856596e-10]
 [ 7.12196273e-46  6.45367761e-09 -1.72856596e-10]
 [-7.12196273e-46 -6.45367761e-09 -1.72856596e-10]
 [ 6.05473526e-32  6.45367761e-09  1.72856596e-10]
 [-7.12196273e-46 -6.45367761e-09  1.72856596e-10]
 [ 7.12196273e-46  6.45367761e-09 -1.72856596e-10]
 [-7.12196273e-46 -6.45367761e-09 -1.72856596e-10]]
stress =  [ 2.20676264e-10 -2.77945458e-10 -3.94592315e-11  0.00000000e+00
  0.00000000e+00 -1.16334604e-46]
energy per atom =  -0.7162728651130985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC8_67_m, while relaxed is A_oF8_69_g. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.