element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:07      -60.671008        0.9092
BFGS:    1 17:16:07      -60.766495        0.7650
BFGS:    2 17:16:07      -60.864537        0.7642
BFGS:    3 17:16:07      -60.894294        0.6894
BFGS:    4 17:16:07      -60.948122        0.4034
BFGS:    5 17:16:08      -60.970996        0.2374
BFGS:    6 17:16:08      -60.978734        0.0633
BFGS:    7 17:16:08      -60.978806        0.0536
BFGS:    8 17:16:08      -60.979179        0.0428
BFGS:    9 17:16:08      -60.979542        0.0414
BFGS:   10 17:16:08      -60.979813        0.0211
BFGS:   11 17:16:09      -60.979873        0.0075
BFGS:   12 17:16:09      -60.979877        0.0009
BFGS:   13 17:16:09      -60.979878        0.0000
BFGS:   14 17:16:09      -60.979878        0.0000
BFGS:   15 17:16:09      -60.979878        0.0000
BFGS:   16 17:16:09      -60.979878        0.0000
Minimization converged after 16 steps.
Maximum force component: 4.5267400125646035e-12 eV/Angstrom
Maximum stress component: 5.78300327542136e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.14873155e-01 8.14873155e-01 1.51474201e-34]
 [1.85126845e-01 1.85126845e-01 0.00000000e+00]
 [1.85126845e-01 8.14873155e-01 7.57371005e-35]
 [8.14873155e-01 1.85126845e-01 0.00000000e+00]
 [3.14873155e-01 3.14873155e-01 5.00000000e-01]
 [6.85126845e-01 6.85126845e-01 5.00000000e-01]
 [6.85126845e-01 3.14873155e-01 5.00000000e-01]
 [3.14873155e-01 6.85126845e-01 5.00000000e-01]]
cellpar =  Cell([[4.462514756158121, 7.215951688561043e-36, -9.760861489611108e-33], [1.3782130344357898e-35, 4.462514756158119, 1.7731931696894063e-18], [1.3828589515023022e-32, 1.0195874475138036e-18, 2.5429148095116303]])
forces =  [[-4.52674001e-12 -4.52674001e-12 -1.79871326e-30]
 [ 4.52674001e-12  4.52674001e-12  1.83005711e-30]
 [ 4.52674001e-12 -4.52674001e-12 -1.86140095e-30]
 [-4.52674001e-12  4.52674001e-12  1.79871326e-30]
 [-4.52674001e-12 -4.52674001e-12 -1.79871326e-30]
 [ 4.52674001e-12  4.52674001e-12  1.83005711e-30]
 [ 4.52674001e-12 -4.52674001e-12 -1.86140095e-30]
 [-4.52674001e-12  4.52674001e-12  1.79871326e-30]]
stress =  [1.05763674e-11 1.05763674e-11 5.78300328e-11 5.85517909e-27
 2.17239592e-33 2.74872537e-49]
energy per atom =  -0.2281341614242427
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0