element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:33:23     -125.302170        0.3803
BFGS:    1 14:33:23     -125.311071        0.3676
BFGS:    2 14:33:24     -125.343586        0.2592
BFGS:    3 14:33:24     -125.349695        0.2251
BFGS:    4 14:33:24     -125.370138        0.1833
BFGS:    5 14:33:25     -125.378489        0.1203
BFGS:    6 14:33:25     -125.380019        0.0531
BFGS:    7 14:33:26     -125.380312        0.0327
BFGS:    8 14:33:26     -125.380458        0.0228
BFGS:    9 14:33:26     -125.380557        0.0213
BFGS:   10 14:33:27     -125.380597        0.0222
BFGS:   11 14:33:27     -125.380628        0.0227
BFGS:   12 14:33:27     -125.380662        0.0218
BFGS:   13 14:33:28     -125.380701        0.0190
BFGS:   14 14:33:28     -125.380749        0.0161
BFGS:   15 14:33:29     -125.380811        0.0180
BFGS:   16 14:33:29     -125.380876        0.0135
BFGS:   17 14:33:30     -125.380913        0.0058
BFGS:   18 14:33:30     -125.380922        0.0017
BFGS:   19 14:33:30     -125.380922        0.0002
BFGS:   20 14:33:31     -125.380922        0.0001
BFGS:   21 14:33:31     -125.380922        0.0000
BFGS:   22 14:33:32     -125.380922        0.0000
BFGS:   23 14:33:32     -125.380922        0.0000
BFGS:   24 14:33:32     -125.380922        0.0000
BFGS:   25 14:33:33     -125.380922        0.0000
BFGS:   26 14:33:33     -125.380922        0.0000
BFGS:   27 14:33:34     -125.380922        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.0868699052194418e-09 eV/Angstrom
Maximum stress component: 1.179538382223171e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.87592634e-35 4.67712909e-02]
 [4.14150575e-35 0.00000000e+00 5.46771291e-01]
 [2.29029764e-35 0.00000000e+00 9.53228709e-01]
 [0.00000000e+00 2.72112880e-36 4.53228709e-01]
 [3.33333333e-01 6.66666667e-01 7.81034886e-02]
 [6.66666667e-01 3.33333333e-01 5.78103489e-01]
 [6.66666667e-01 3.33333333e-01 9.21896511e-01]
 [3.33333333e-01 6.66666667e-01 4.21896511e-01]
 [3.33333333e-01 6.66666667e-01 1.71916396e-01]
 [6.66666667e-01 3.33333333e-01 6.71916396e-01]
 [6.66666667e-01 3.33333333e-01 8.28083604e-01]
 [3.33333333e-01 6.66666667e-01 3.28083604e-01]
 [3.33333333e-01 6.66666667e-01 7.97906638e-01]
 [6.66666667e-01 3.33333333e-01 2.97906638e-01]
 [6.66666667e-01 3.33333333e-01 2.02093362e-01]
 [3.33333333e-01 6.66666667e-01 7.02093362e-01]]
cellpar =  Cell([[2.546252917237207, -6.05915761621465e-19, 2.8433812145460345e-40], [-1.2731264586186035, 2.205119710787659, -2.1827132148739026e-39], [1.2893935323818927e-38, 1.921510424898283e-36, 16.63733474998669]])
forces =  [[-1.04616634e-32 -5.43603978e-32 -1.08686991e-09]
 [ 8.36933076e-32 -7.24805305e-32 -1.08686991e-09]
 [ 4.70774855e-32  6.34204642e-32  1.08686991e-09]
 [-1.25539961e-31  7.24805305e-32  1.08686991e-09]
 [ 1.77848279e-31  1.26840928e-31 -4.59486726e-10]
 [-1.77848279e-31  5.43603978e-32 -4.59486726e-10]
 [-1.04616634e-31  3.62402652e-32  4.59486726e-10]
 [ 4.18466538e-32 -7.24805305e-32  4.59486726e-10]
 [ 2.17146258e-49  3.23600816e-47  2.80188701e-10]
 [-4.18466538e-32  3.62402652e-32  2.80188701e-10]
 [-8.36933076e-32  6.34204642e-32 -2.80188701e-10]
 [ 1.04616634e-32 -1.81201326e-32 -2.80188701e-10]
 [ 4.18466538e-32  1.61645362e-47  1.40046325e-10]
 [ 1.08535910e-49  1.61744942e-47  1.40046325e-10]
 [-3.13849903e-32 -1.61670257e-47 -1.40046325e-10]
 [ 1.56924952e-32 -2.71801989e-32 -1.40046325e-10]]
stress =  [ 1.57329640e-11  1.57329640e-11 -1.17953838e-10 -3.30772805e-46
 -1.13914823e-46 -4.26631264e-28]
energy per atom =  -0.47374916458669514
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0