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 17:32:20      -60.398738         2.071609
BFGS:    1 17:32:20      -60.676627         1.299528
BFGS:    2 17:32:20      -60.805931         0.476380
BFGS:    3 17:32:20      -60.814385         0.288373
BFGS:    4 17:32:20      -60.821166         0.256303
BFGS:    5 17:32:20      -60.824741         0.326707
BFGS:    6 17:32:20      -60.827896         0.329350
BFGS:    7 17:32:20      -60.831653         0.267954
BFGS:    8 17:32:20      -60.835648         0.141954
BFGS:    9 17:32:20      -60.837936         0.065730
BFGS:   10 17:32:20      -60.838518         0.017092
BFGS:   11 17:32:20      -60.838576         0.003035
BFGS:   12 17:32:20      -60.838577         0.000274
BFGS:   13 17:32:20      -60.838577         0.000041
BFGS:   14 17:32:20      -60.838577         0.000002
BFGS:   15 17:32:21      -60.838577         0.000000
BFGS:   16 17:32:21      -60.838577         0.000000
Minimization converged after 16 steps.
Maximum force component: 7.768432731511963e-10 eV/Angstrom
Maximum stress component: 8.713979919204855e-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([[4.458756072734309, 5.25208245772233e-36, 5.4488857641970666e-33], [-8.489692446909929e-37, 4.458756072734309, 5.7672541286381876e-18], [-4.1450430585281446e-33, 3.2684743313231902e-18, 2.497722749928048]])
forces =  [[-7.76843273e-10 -7.76843273e-10 -1.00482119e-27]
 [ 7.76843273e-10  7.76843273e-10  1.00483658e-27]
 [ 7.76843273e-10 -7.76843273e-10 -1.00483754e-27]
 [-7.76843273e-10  7.76843273e-10  1.00482119e-27]
 [-7.76843273e-10 -7.76843273e-10 -1.00482504e-27]
 [ 7.76843273e-10  7.76843273e-10  1.00485582e-27]
 [ 7.76843273e-10 -7.76843273e-10 -1.00484043e-27]
 [-7.76843273e-10  7.76843273e-10  1.00482119e-27]]
stress =  [ 7.15284588e-10  7.15284588e-10  8.71397992e-10 -1.42516504e-25
 -2.21356618e-33  2.75336161e-49]
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