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:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_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 16:27:58      -54.711491         1.964590
BFGS:    1 16:27:58      -54.618513         2.828465
BFGS:    2 16:27:58      -54.838955         1.323225
BFGS:    3 16:27:58      -54.876557         1.154831
BFGS:    4 16:27:58      -54.930422         0.857654
BFGS:    5 16:27:58      -54.970890         0.584404
BFGS:    6 16:27:58      -54.998541         0.368584
BFGS:    7 16:27:59      -55.011626         0.146961
BFGS:    8 16:27:59      -55.012821         0.100744
BFGS:    9 16:27:59      -55.013352         0.101073
BFGS:   10 16:27:59      -55.014301         0.101167
BFGS:   11 16:27:59      -55.015183         0.123168
BFGS:   12 16:27:59      -55.015795         0.074625
BFGS:   13 16:27:59      -55.015938         0.019355
BFGS:   14 16:27:59      -55.015951         0.001116
BFGS:   15 16:27:59      -55.015951         0.000138
BFGS:   16 16:27:59      -55.015951         0.000027
BFGS:   17 16:27:59      -55.015951         0.000003
BFGS:   18 16:27:59      -55.015951         0.000000
BFGS:   19 16:27:59      -55.015951         0.000000
BFGS:   20 16:27:59      -55.015951         0.000000
Minimization converged after 20 steps.
Maximum force component: 7.267344267933602e-10 eV/Angstrom
Maximum stress component: 6.397494237019443e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17959646e-01 8.17959646e-01 0.00000000e+00]
 [1.82040354e-01 1.82040354e-01 5.55333621e-35]
 [1.82040354e-01 8.17959646e-01 0.00000000e+00]
 [8.17959646e-01 1.82040354e-01 1.11066724e-34]
 [3.17959646e-01 3.17959646e-01 5.00000000e-01]
 [6.82040354e-01 6.82040354e-01 5.00000000e-01]
 [6.82040354e-01 3.17959646e-01 5.00000000e-01]
 [3.17959646e-01 6.82040354e-01 5.00000000e-01]]
cellpar =  Cell([[4.40599919425406, 5.6631366555499144e-36, 2.467468448859997e-33], [-1.5766135219248682e-36, 4.40599919425406, 1.700624948661709e-18], [2.7805484156811803e-33, 8.411941633881063e-19, 2.6010444946144533]])
forces =  [[ 7.26734427e-10  7.26734427e-10  2.80376280e-28]
 [-7.26734427e-10 -7.26734427e-10 -2.80376280e-28]
 [-7.26734427e-10  7.26734427e-10  2.80504522e-28]
 [ 7.26734427e-10 -7.26734427e-10 -2.80376280e-28]
 [ 7.26734427e-10  7.26734427e-10  2.80344220e-28]
 [-7.26734427e-10 -7.26734427e-10 -2.80376280e-28]
 [-7.26734427e-10  7.26734427e-10  2.80440401e-28]
 [ 7.26734427e-10 -7.26734427e-10 -2.80376280e-28]]
stress =  [ 6.39749424e-11  6.39749424e-11  3.39326812e-11 -1.20314166e-26
  2.77288740e-34 -8.20693527e-64]
energy per atom =  -6.876993896248657
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0