element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:30:10      -30.224810         0.866894
BFGS:    1 14:30:10      -30.251864         0.882548
BFGS:    2 14:30:10      -30.361142         0.795093
BFGS:    3 14:30:10      -30.418790         0.118495
BFGS:    4 14:30:10      -30.419942         0.130615
BFGS:    5 14:30:10      -30.420464         0.140547
BFGS:    6 14:30:10      -30.421620         0.131346
BFGS:    7 14:30:10      -30.422474         0.093055
BFGS:    8 14:30:11      -30.423042         0.043932
BFGS:    9 14:30:11      -30.423239         0.038566
BFGS:   10 14:30:11      -30.423427         0.032700
BFGS:   11 14:30:11      -30.423620         0.028385
BFGS:   12 14:30:11      -30.423698         0.011765
BFGS:   13 14:30:11      -30.423711         0.001655
BFGS:   14 14:30:11      -30.423712         0.000142
BFGS:   15 14:30:11      -30.423712         0.000014
BFGS:   16 14:30:11      -30.423712         0.000002
BFGS:   17 14:30:11      -30.423712         0.000000
BFGS:   18 14:30:12      -30.423712         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.790530260499429e-09 eV/Angstrom
Maximum stress component: 8.58039619376061e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.05767748]
 [0.66666666 0.33333334 0.55767748]
 [0.66666666 0.33333334 0.94232252]
 [0.33333333 0.66666667 0.44232252]]
cellpar =  Cell([[2.5987377753510836, 2.807677099762875e-17, -1.3022722460828836e-37], [-1.2993688876755418, 2.2505729312282954, -6.12586018691213e-38], [-4.342287288039769e-37, 5.268022103786422e-37, 4.211518270821552]])
forces =  [[ 9.60957485e-32  5.54809062e-32  2.79053026e-09]
 [-1.28127665e-31  3.69872708e-32  2.79053026e-09]
 [-1.06773054e-31  1.10961812e-31 -2.79053026e-09]
 [-4.27092215e-32 -1.10961812e-31 -2.79053026e-09]]
stress =  [-8.58039619e-10 -8.58039619e-10 -3.59273777e-10 -1.91549032e-33
  2.68872584e-33 -1.35089603e-25]
energy per atom =  -0.21157748017760625
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0