element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:53:56     -112.999207         6.610517
BFGS:    1 19:53:56     -114.797824         2.162001
BFGS:    2 19:53:56     -115.238679         0.848465
BFGS:    3 19:53:56     -115.312393         0.871948
BFGS:    4 19:53:56     -115.372155         0.828918
BFGS:    5 19:53:56     -115.407633         0.738216
BFGS:    6 19:53:56     -115.446319         0.590515
BFGS:    7 19:53:56     -115.481376         0.424105
BFGS:    8 19:53:56     -115.512392         0.290665
BFGS:    9 19:53:56     -115.535480         0.193710
BFGS:   10 19:53:56     -115.542579         0.104235
BFGS:   11 19:53:56     -115.543581         0.111376
BFGS:   12 19:53:56     -115.544277         0.107023
BFGS:   13 19:53:56     -115.545122         0.096034
BFGS:   14 19:53:56     -115.547169         0.088183
BFGS:   15 19:53:56     -115.550058         0.106327
BFGS:   16 19:53:56     -115.552814         0.082863
BFGS:   17 19:53:56     -115.554125         0.040915
BFGS:   18 19:53:57     -115.554430         0.019568
BFGS:   19 19:53:57     -115.554478         0.012233
BFGS:   20 19:53:57     -115.554494         0.008035
BFGS:   21 19:53:57     -115.554500         0.006845
BFGS:   22 19:53:57     -115.554504         0.006641
BFGS:   23 19:53:57     -115.554510         0.005406
BFGS:   24 19:53:57     -115.554518         0.004317
BFGS:   25 19:53:57     -115.554523         0.002544
BFGS:   26 19:53:57     -115.554524         0.000657
BFGS:   27 19:53:57     -115.554524         0.000079
BFGS:   28 19:53:57     -115.554524         0.000009
BFGS:   29 19:53:57     -115.554524         0.000002
BFGS:   30 19:53:57     -115.554524         0.000001
BFGS:   31 19:53:57     -115.554524         0.000000
BFGS:   32 19:53:57     -115.554524         0.000000
Minimization converged after 32 steps.
Maximum force component: 7.247248079433888e-09 eV/Angstrom
Maximum stress component: 1.0665766926989623e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.77080692e-01 1.57985383e-01 1.86258385e-35]
 [8.22919308e-01 8.42014617e-01 0.00000000e+00]
 [8.22919308e-01 1.57985383e-01 1.51127064e-34]
 [1.77080692e-01 8.42014617e-01 0.00000000e+00]
 [6.77080692e-01 6.57985383e-01 2.85117059e-35]
 [3.22919308e-01 3.42014617e-01 0.00000000e+00]
 [3.22919308e-01 6.57985383e-01 1.59864293e-34]
 [6.77080692e-01 3.42014617e-01 0.00000000e+00]
 [1.93845797e-01 4.05273865e-01 5.00000000e-01]
 [8.06154203e-01 5.94726135e-01 5.00000000e-01]
 [8.06154203e-01 4.05273865e-01 5.00000000e-01]
 [1.93845797e-01 5.94726135e-01 5.00000000e-01]
 [6.93845797e-01 9.05273865e-01 5.00000000e-01]
 [3.06154203e-01 9.47261355e-02 5.00000000e-01]
 [3.06154203e-01 9.05273865e-01 5.00000000e-01]
 [6.93845797e-01 9.47261355e-02 5.00000000e-01]]
cellpar =  Cell([[4.258589660426649, 5.146387668559244e-37, 0.0], [-1.338167054033936e-35, 8.966030851012137, 0.0], [0.0, 0.0, 2.462976090778261]])
forces =  [[ 6.76830173e-09 -1.77604705e-09  2.12509669e-31]
 [-6.76830173e-09  1.77604705e-09 -2.42868194e-31]
 [-6.76830173e-09 -1.77604705e-09  3.64302290e-31]
 [ 6.76830173e-09  1.77604705e-09 -3.03585242e-31]
 [ 6.76830173e-09 -1.77604705e-09  2.42868194e-31]
 [-6.76830173e-09  1.77604705e-09 -2.42868194e-31]
 [-6.76830173e-09 -1.77604705e-09  3.33943766e-31]
 [ 6.76830173e-09  1.77604705e-09 -3.64302290e-31]
 [ 7.24724808e-09  3.25154920e-09  0.00000000e+00]
 [-7.24724808e-09 -3.25154920e-09  6.07170484e-32]
 [-7.24724808e-09  3.25154920e-09  0.00000000e+00]
 [ 7.24724808e-09 -3.25154920e-09 -6.07170484e-32]
 [ 7.24724808e-09  3.25154920e-09  0.00000000e+00]
 [-7.24724808e-09 -3.25154920e-09  0.00000000e+00]
 [-7.24724808e-09  3.25154920e-09  0.00000000e+00]
 [ 7.24724808e-09 -3.25154920e-09 -1.51792621e-32]]
stress =  [ 6.32074903e-10 -1.06657669e-09  3.22535178e-10  0.00000000e+00
  0.00000000e+00  7.99956550e-45]
energy per atom =  -7.222157762647772
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0