element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_tI10_87_a_h
Parameter names:
['a', 'c/a', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7467', '0.42063527', '0.92282991', '0.71989371']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.92282991 0.71989371 0.        ]]
spacegroup =  87
cell =  [[6.7467, 0, 0], [0, 6.7467, 0], [0, 0, 2.8379]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:15:20      -46.348195         2.285754
BFGS:    1 18:15:20      -46.609826         2.222233
BFGS:    2 18:15:20      -46.978475         2.132522
BFGS:    3 18:15:20      -47.312893         2.020018
BFGS:    4 18:15:20      -47.616984         1.888334
BFGS:    5 18:15:20      -47.892968         1.746041
BFGS:    6 18:15:20      -48.141025         1.613516
BFGS:    7 18:15:20      -48.360905         1.476907
BFGS:    8 18:15:20      -48.552810         1.336839
BFGS:    9 18:15:20      -48.716806         1.193956
BFGS:   10 18:15:20      -48.852966         1.049162
BFGS:   11 18:15:21      -48.961501         0.903539
BFGS:   12 18:15:21      -49.042962         0.758493
BFGS:   13 18:15:21      -49.098577         0.616085
BFGS:   14 18:15:21      -49.130946         0.479912
BFGS:   15 18:15:21      -49.145975         0.358202
BFGS:   16 18:15:21      -49.153729         0.328939
BFGS:   17 18:15:21      -49.174147         0.361626
BFGS:   18 18:15:21      -49.193784         0.331508
BFGS:   19 18:15:21      -49.210977         0.243325
BFGS:   20 18:15:21      -49.223784         0.209713
BFGS:   21 18:15:21      -49.231414         0.175864
BFGS:   22 18:15:21      -49.240674         0.162299
BFGS:   23 18:15:21      -49.247250         0.183477
BFGS:   24 18:15:21      -49.253349         0.178503
BFGS:   25 18:15:21      -49.257880         0.117318
BFGS:   26 18:15:21      -49.259973         0.036636
BFGS:   27 18:15:21      -49.260380         0.012876
BFGS:   28 18:15:21      -49.260424         0.002682
BFGS:   29 18:15:21      -49.260426         0.000501
BFGS:   30 18:15:22      -49.260426         0.000067
BFGS:   31 18:15:22      -49.260426         0.000009
BFGS:   32 18:15:22      -49.260426         0.000001
BFGS:   33 18:15:22      -49.260426         0.000000
BFGS:   34 18:15:22      -49.260426         0.000000
Minimization converged after 34 steps.
Maximum force component: 1.4241040683808444e-09 eV/Angstrom
Maximum stress component: 3.8630849834917804e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [9.24274774e-01 7.13762296e-01 0.00000000e+00]
 [7.57252263e-02 2.86237704e-01 1.21778663e-33]
 [2.86237704e-01 9.24274774e-01 1.46134396e-32]
 [7.13762296e-01 7.57252263e-02 1.21778663e-33]
 [4.24274774e-01 2.13762296e-01 5.00000000e-01]
 [5.75725226e-01 7.86237704e-01 5.00000000e-01]
 [7.86237704e-01 4.24274774e-01 5.00000000e-01]
 [2.13762296e-01 5.75725226e-01 5.00000000e-01]]
cellpar =  Cell([[6.399586077030464, 1.8172484432731218e-18, 4.828866804718213e-32], [-1.8172484432731214e-18, 6.399586077030463, -6.557106903563485e-17], [4.45374951082252e-32, -2.8771488187396445e-17, 2.530400504704331]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.36324745e-09 -1.42410407e-09  1.45915728e-26]
 [ 1.36324745e-09  1.42410407e-09 -1.45915572e-26]
 [ 1.42410407e-09 -1.36324745e-09  1.39680273e-26]
 [-1.42410407e-09  1.36324745e-09 -1.39680117e-26]
 [-1.36324745e-09 -1.42410407e-09  1.45915728e-26]
 [ 1.36324745e-09  1.42410407e-09 -1.45915650e-26]
 [ 1.42410407e-09 -1.36324745e-09  1.39680273e-26]
 [-1.42410407e-09  1.36324745e-09 -1.39680117e-26]]
stress =  [-3.80042223e-11 -3.80042223e-11 -3.86308498e-10 -1.34370077e-26
  7.61165874e-34  1.13565941e-45]
energy per atom =  -4.9260425896534255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0