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:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_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 16:29:29      -35.558671         5.174549
BFGS:    1 16:29:29      -38.001222         7.413214
BFGS:    2 16:29:29      -40.740595         5.271374
BFGS:    3 16:29:29      -41.333642         4.567613
BFGS:    4 16:29:29      -41.839576         4.153371
BFGS:    5 16:29:29      -42.335514         3.705589
BFGS:    6 16:29:29      -42.790037         3.274499
BFGS:    7 16:29:29      -43.201168         2.862881
BFGS:    8 16:29:29      -43.568826         2.470966
BFGS:    9 16:29:29      -43.893240         2.098753
BFGS:   10 16:29:29      -44.174870         1.746113
BFGS:   11 16:29:29      -44.414378         1.412800
BFGS:   12 16:29:29      -44.610115         1.102710
BFGS:   13 16:29:29      -44.764008         0.816016
BFGS:   14 16:29:29      -44.879107         0.551339
BFGS:   15 16:29:29      -44.958294         0.360709
BFGS:   16 16:29:29      -45.004376         0.218219
BFGS:   17 16:29:29      -45.020359         0.117934
BFGS:   18 16:29:29      -45.020750         0.129087
BFGS:   19 16:29:29      -45.022111         0.149021
BFGS:   20 16:29:29      -45.024513         0.157983
BFGS:   21 16:29:29      -45.028635         0.136838
BFGS:   22 16:29:29      -45.032146         0.080215
BFGS:   23 16:29:29      -45.033792         0.032775
BFGS:   24 16:29:29      -45.033970         0.006947
BFGS:   25 16:29:29      -45.033981         0.000476
BFGS:   26 16:29:29      -45.033982         0.000040
BFGS:   27 16:29:29      -45.033982         0.000001
BFGS:   28 16:29:29      -45.033982         0.000000
BFGS:   29 16:29:29      -45.033982         0.000000
Minimization converged after 29 steps.
Maximum force component: 1.145287763931746e-09 eV/Angstrom
Maximum stress component: 9.538889317599964e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81923679 0.81923679 0.        ]
 [0.18076321 0.18076321 0.        ]
 [0.18076321 0.81923679 0.        ]
 [0.81923679 0.18076321 0.        ]
 [0.31923679 0.31923679 0.5       ]
 [0.68076321 0.68076321 0.5       ]
 [0.68076321 0.31923679 0.5       ]
 [0.31923679 0.68076321 0.5       ]]
cellpar =  Cell([[4.870489738003426, -9.50725528548727e-36, 1.397347849984348e-32], [1.7246217049822418e-35, 4.870489738003427, 1.3543537579991006e-17], [6.984065803152798e-33, 7.856642775879408e-18, 2.708401003739493]])
forces =  [[-1.14528776e-09 -1.14528776e-09 -3.18474090e-27]
 [ 1.14528776e-09  1.14528776e-09  3.18474090e-27]
 [ 1.14528776e-09 -1.14528776e-09 -3.18474090e-27]
 [-1.14528776e-09  1.14528776e-09  3.18474090e-27]
 [-1.14528776e-09 -1.14528776e-09 -3.18474090e-27]
 [ 1.14528776e-09  1.14528776e-09  3.18474090e-27]
 [ 1.14528776e-09 -1.14528776e-09 -3.18474090e-27]
 [-1.14528776e-09  1.14528776e-09  3.18474090e-27]]
stress =  [-9.53888932e-11 -9.53888932e-11  3.29385435e-11 -1.87011657e-27
 -1.86880874e-33 -3.68413859e-49]
energy per atom =  -5.62924768767209
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0