element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:53:46      -32.328512         0.180757
BFGS:    1 10:53:47      -32.329274         0.181529
BFGS:    2 10:53:47      -32.333879         0.190765
BFGS:    3 10:53:48      -32.335427         0.206223
BFGS:    4 10:53:48      -32.342751         0.307609
BFGS:    5 10:53:49      -32.349372         0.429538
BFGS:    6 10:53:49      -32.362644         0.421405
BFGS:    7 10:53:50      -32.378293         0.388824
BFGS:    8 10:53:50      -32.394921         0.357508
BFGS:    9 10:53:51      -32.411773         0.335929
BFGS:   10 10:53:52      -32.427454         0.336098
BFGS:   11 10:53:52      -32.441233         0.321802
BFGS:   12 10:53:53      -32.452154         0.213968
BFGS:   13 10:53:53      -32.456027         0.017884
BFGS:   14 10:53:54      -32.456111         0.008898
BFGS:   15 10:53:54      -32.456149         0.003444
BFGS:   16 10:53:55      -32.456159         0.001742
BFGS:   17 10:53:56      -32.456164         0.001331
BFGS:   18 10:53:56      -32.456214         0.008040
BFGS:   19 10:53:57      -32.456486         0.027702
BFGS:   20 10:53:57      -32.457510         0.064383
BFGS:   21 10:53:58      -32.461378         0.132274
BFGS:   22 10:53:58      -32.469968         0.204947
BFGS:   23 10:53:59      -32.480877         0.220223
BFGS:   24 10:53:59      -32.490923         0.173628
BFGS:   25 10:54:00      -32.497564         0.085944
BFGS:   26 10:54:00      -32.499645         0.011264
BFGS:   27 10:54:01      -32.499654         0.000537
BFGS:   28 10:54:02      -32.499654         0.000004
BFGS:   29 10:54:02      -32.499654         0.000000
BFGS:   30 10:54:03      -32.499654         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.982663233786123e-31 eV/Angstrom
Maximum stress component: 2.116772804052947e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[8.27739347e-36 1.46452209e-35 2.50000000e-01]
 [9.24130171e-36 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4623857857796327, 2.921235131998436e-18, 1.0086847846268984e-30], [-1.2311928928898164, 2.1324886444028683, 2.0173730086652146e-30], [2.8057750380826115e-30, 8.099575883283406e-30, 6.502030632439331]])
forces =  [[-4.85619970e-31  2.80372820e-31 -3.33932147e-33]
 [ 4.98266323e-31 -3.02276947e-31  3.33932147e-33]
 [ 1.44099364e-63  4.15979086e-63  3.33932147e-33]
 [-1.44099364e-63 -4.15979086e-63 -3.33932147e-33]]
stress =  [-2.11677280e-11 -2.11677280e-11  4.83806672e-12 -2.52230990e-40
  1.64238160e-32  2.44505611e-27]
energy per atom =  -0.762355015213326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0