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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== 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 20:40:50      -49.558216        10.117309
BFGS:    1 20:40:50      -50.766519         5.048693
BFGS:    2 20:40:51      -51.481049         4.799854
BFGS:    3 20:40:51      -51.939729         3.689556
BFGS:    4 20:40:51      -52.288427         2.889939
BFGS:    5 20:40:51      -52.552805         2.259022
BFGS:    6 20:40:51      -52.753699         1.803488
BFGS:    7 20:40:52      -52.909289         1.501103
BFGS:    8 20:40:52      -53.033638         1.311613
BFGS:    9 20:40:52      -53.135945         1.181240
BFGS:   10 20:40:52      -53.220196         1.058914
BFGS:   11 20:40:53      -53.287708         0.932789
BFGS:   12 20:40:53      -53.339944         0.801707
BFGS:   13 20:40:53      -53.378508         0.665075
BFGS:   14 20:40:53      -53.405092         0.522273
BFGS:   15 20:40:54      -53.421663         0.372381
BFGS:   16 20:40:54      -53.431132         0.354571
BFGS:   17 20:40:54      -53.436893         0.326478
BFGS:   18 20:40:55      -53.447977         0.193025
BFGS:   19 20:40:55      -53.453480         0.097101
BFGS:   20 20:40:55      -53.454764         0.035347
BFGS:   21 20:40:56      -53.454836         0.011867
BFGS:   22 20:40:56      -53.454839         0.004464
BFGS:   23 20:40:56      -53.454840         0.001623
BFGS:   24 20:40:57      -53.454840         0.001382
BFGS:   25 20:40:57      -53.454840         0.001171
BFGS:   26 20:40:57      -53.454840         0.001263
BFGS:   27 20:40:57      -53.454840         0.000832
BFGS:   28 20:40:58      -53.454840         0.000226
BFGS:   29 20:40:58      -53.454840         0.000024
BFGS:   30 20:40:58      -53.454840         0.000002
BFGS:   31 20:40:58      -53.454840         0.000000
BFGS:   32 20:40:59      -53.454840         0.000000
Minimization converged after 32 steps.
Maximum force component: 4.736477544377281e-09 eV/Angstrom
Maximum stress component: 2.7778240075665156e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.94181736e-01 1.65603644e-34 0.00000000e+00]
 [4.05818264e-01 2.39542239e-34 0.00000000e+00]
 [9.41817358e-02 5.00000000e-01 0.00000000e+00]
 [9.05818264e-01 5.00000000e-01 0.00000000e+00]
 [6.94246376e-01 6.08759137e-36 5.00000000e-01]
 [3.05753624e-01 7.27190193e-36 5.00000000e-01]
 [1.94246376e-01 5.00000000e-01 5.00000000e-01]
 [8.05753624e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.30729026810247, 5.358373535822434e-37, 0.0], [1.8317776128233785e-36, 2.4245272383576446, 0.0], [0.0, 0.0, 2.6211781664334732]])
forces =  [[ 4.73647754e-09 -5.97692110e-32  0.00000000e+00]
 [-4.73647754e-09  2.98846055e-32 -3.23085153e-32]
 [ 4.73647754e-09 -5.97692110e-32  0.00000000e+00]
 [-4.73647754e-09  2.98846055e-32  0.00000000e+00]
 [-4.13732937e-10 -2.66866276e-47  0.00000000e+00]
 [ 4.13732937e-10  2.66866276e-47  0.00000000e+00]
 [-4.13732937e-10 -2.66866276e-47  0.00000000e+00]
 [ 4.13732937e-10  2.66866276e-47  0.00000000e+00]]
stress =  [-8.30453364e-11  2.77782401e-10  1.03512173e-10  0.00000000e+00
  0.00000000e+00 -1.22395092e-33]
energy per atom =  -6.681855044073125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0