element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:54:34      -57.151660         4.592831
BFGS:    1 12:54:35      -57.474035         2.124473
BFGS:    2 12:54:35      -57.559012         0.370790
BFGS:    3 12:54:35      -57.562127         0.364574
BFGS:    4 12:54:35      -57.569458         0.265449
BFGS:    5 12:54:35      -57.573762         0.198522
BFGS:    6 12:54:35      -57.575738         0.082929
BFGS:    7 12:54:35      -57.575991         0.046792
BFGS:    8 12:54:35      -57.576059         0.036091
BFGS:    9 12:54:35      -57.576143         0.031310
BFGS:   10 12:54:35      -57.576267         0.039139
BFGS:   11 12:54:35      -57.576361         0.025685
BFGS:   12 12:54:35      -57.576398         0.017292
BFGS:   13 12:54:35      -57.576410         0.015675
BFGS:   14 12:54:36      -57.576421         0.013533
BFGS:   15 12:54:36      -57.576441         0.015309
BFGS:   16 12:54:36      -57.576462         0.013039
BFGS:   17 12:54:36      -57.576471         0.005253
BFGS:   18 12:54:36      -57.576473         0.000727
BFGS:   19 12:54:36      -57.576473         0.000058
BFGS:   20 12:54:36      -57.576473         0.000007
BFGS:   21 12:54:36      -57.576473         0.000001
BFGS:   22 12:54:36      -57.576473         0.000000
BFGS:   23 12:54:36      -57.576473         0.000000
BFGS:   24 12:54:36      -57.576473         0.000000
BFGS:   25 12:54:36      -57.576473         0.000000
Minimization converged after 25 steps.
Maximum force component: 4.300791682856908e-09 eV/Angstrom
Maximum stress component: 6.663509526196789e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90564245e-01 0.00000000e+00 5.23308129e-37]
 [4.09435755e-01 0.00000000e+00 0.00000000e+00]
 [9.05642445e-02 5.00000000e-01 0.00000000e+00]
 [9.09435755e-01 5.00000000e-01 0.00000000e+00]
 [6.86650434e-01 0.00000000e+00 5.00000000e-01]
 [3.13349566e-01 1.25190572e-36 5.00000000e-01]
 [1.86650434e-01 5.00000000e-01 5.00000000e-01]
 [8.13349566e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.854451967696749, 2.6194787567768063e-37, 0.0], [1.8792834201014258e-37, 2.6908447095180374, 0.0], [0.0, 0.0, 2.48821368062329]])
forces =  [[ 4.30079168e-09  1.41229061e-46  0.00000000e+00]
 [-4.30079168e-09 -1.43432444e-46  0.00000000e+00]
 [ 4.30079168e-09  1.41229061e-46 -3.06696015e-32]
 [-4.30079168e-09 -1.43432444e-46  0.00000000e+00]
 [-1.38503872e-09 -4.61913769e-47  0.00000000e+00]
 [ 1.38503872e-09  4.61913769e-47  0.00000000e+00]
 [-1.38503872e-09 -4.14590272e-33  0.00000000e+00]
 [ 1.38503872e-09  2.07295136e-33  0.00000000e+00]]
stress =  [ 6.66350953e-11  6.54420081e-11  1.60835595e-11  0.00000000e+00
  0.00000000e+00 -1.45799470e-34]
energy per atom =  -7.197059082668825
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0