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:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== 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 17:19:10      -60.398738        2.0716
BFGS:    1 17:19:10      -60.676627        1.2995
BFGS:    2 17:19:10      -60.805931        0.4764
BFGS:    3 17:19:10      -60.814385        0.2884
BFGS:    4 17:19:10      -60.821166        0.2563
BFGS:    5 17:19:11      -60.824741        0.3267
BFGS:    6 17:19:11      -60.827896        0.3294
BFGS:    7 17:19:11      -60.831653        0.2680
BFGS:    8 17:19:11      -60.835648        0.1420
BFGS:    9 17:19:11      -60.837936        0.0657
BFGS:   10 17:19:11      -60.838518        0.0171
BFGS:   11 17:19:11      -60.838576        0.0030
BFGS:   12 17:19:11      -60.838577        0.0003
BFGS:   13 17:19:11      -60.838577        0.0000
BFGS:   14 17:19:11      -60.838577        0.0000
BFGS:   15 17:19:11      -60.838577        0.0000
BFGS:   16 17:19:11      -60.838577        0.0000
Minimization converged after 16 steps.
Maximum force component: 7.768439489651511e-10 eV/Angstrom
Maximum stress component: 8.713915244883425e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81406892 0.81406892 0.        ]
 [0.18593108 0.18593108 0.        ]
 [0.18593108 0.81406892 0.        ]
 [0.81406892 0.18593108 0.        ]
 [0.31406892 0.31406892 0.5       ]
 [0.68593108 0.68593108 0.5       ]
 [0.68593108 0.31406892 0.5       ]
 [0.31406892 0.68593108 0.5       ]]
cellpar =  Cell([[4.458756072734308, 5.6746622361530854e-36, 1.0463216837900537e-32], [-3.072544172607566e-36, 4.458756072734308, 9.111000111645409e-18], [-1.2796510814865044e-32, 5.1773048612196476e-18, 2.4977227499280485]])
forces =  [[-7.76843949e-10 -7.76843949e-10 -1.58739908e-27]
 [ 7.76843949e-10  7.76843949e-10  1.58740293e-27]
 [ 7.76843949e-10 -7.76843949e-10 -1.58739908e-27]
 [-7.76843949e-10  7.76843949e-10  1.58739908e-27]
 [-7.76843949e-10 -7.76843949e-10 -1.58739908e-27]
 [ 7.76843949e-10  7.76843949e-10  1.58741448e-27]
 [ 7.76843949e-10 -7.76843949e-10 -1.58740678e-27]
 [-7.76843949e-10  7.76843949e-10  1.58739908e-27]]
stress =  [ 7.15276478e-10  7.15276478e-10  8.71391524e-10 -9.62575188e-26
  2.26360833e-42 -2.21089441e-58]
energy per atom =  -6.310678218973836
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0