element(s):
['C']
AFLOW prototype label:
A_oP16_62_4c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.80509054 0.25       0.07436885]
 [0.18951676 0.25       0.70009446]
 [0.5207376  0.25       0.90843723]
 [0.46345886 0.25       0.56850299]]
spacegroup =  62
cell =  [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:49     -109.798656         2.802572
BFGS:    1 17:10:50     -109.825794         2.959557
BFGS:    2 17:10:50     -109.980222         0.631472
BFGS:    3 17:10:50     -109.997762         0.587657
BFGS:    4 17:10:50     -110.056270         0.550537
BFGS:    5 17:10:50     -110.096113         0.540092
BFGS:    6 17:10:51     -110.122186         0.339778
BFGS:    7 17:10:51     -110.132764         0.175586
BFGS:    8 17:10:51     -110.136923         0.156088
BFGS:    9 17:10:51     -110.142036         0.168658
BFGS:   10 17:10:51     -110.145587         0.148409
BFGS:   11 17:10:51     -110.147330         0.060098
BFGS:   12 17:10:51     -110.147620         0.014339
BFGS:   13 17:10:51     -110.147639         0.007346
BFGS:   14 17:10:52     -110.147641         0.007073
BFGS:   15 17:10:52     -110.147643         0.006645
BFGS:   16 17:10:52     -110.147651         0.007118
BFGS:   17 17:10:52     -110.147658         0.006908
BFGS:   18 17:10:52     -110.147661         0.002998
BFGS:   19 17:10:52     -110.147661         0.000903
BFGS:   20 17:10:52     -110.147662         0.000747
BFGS:   21 17:10:52     -110.147662         0.000665
BFGS:   22 17:10:53     -110.147662         0.000482
BFGS:   23 17:10:53     -110.147662         0.000575
BFGS:   24 17:10:53     -110.147662         0.000377
BFGS:   25 17:10:53     -110.147662         0.000107
BFGS:   26 17:10:53     -110.147662         0.000011
BFGS:   27 17:10:54     -110.147662         0.000001
BFGS:   28 17:10:54     -110.147662         0.000000
BFGS:   29 17:10:54     -110.147662         0.000000
BFGS:   30 17:10:54     -110.147662         0.000000
BFGS:   31 17:10:54     -110.147662         0.000000
BFGS:   32 17:10:54     -110.147662         0.000000
Minimization converged after 32 steps.
Maximum force component: 4.173015349939746e-09 eV/Angstrom
Maximum stress component: 1.2918317418896695e-10 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 =  [[0.80399449 0.25       0.06883941]
 [0.69600551 0.75       0.56883941]
 [0.19600551 0.75       0.93116059]
 [0.30399449 0.25       0.43116059]
 [0.19048979 0.25       0.70772134]
 [0.30951021 0.75       0.20772134]
 [0.80951021 0.75       0.29227866]
 [0.69048979 0.25       0.79227866]
 [0.5216236  0.25       0.91314218]
 [0.9783764  0.75       0.41314218]
 [0.4783764  0.75       0.08685782]
 [0.0216236  0.25       0.58685782]
 [0.46368585 0.25       0.56889176]
 [0.03631415 0.75       0.06889176]
 [0.53631415 0.75       0.43110824]
 [0.96368585 0.25       0.93110824]]
cellpar =  Cell([[9.170237305766518, -7.262302166293488e-36, 0.0], [1.7114281919173492e-36, 2.562355926095231, 0.0], [0.0, 0.0, 4.2140108461630925]])
forces =  [[ 4.17301535e-09  5.05335604e-31 -2.23326024e-10]
 [-4.17301535e-09 -1.51600681e-30 -2.23326024e-10]
 [-4.17301535e-09 -5.05335604e-31  2.23326024e-10]
 [ 4.17301535e-09  5.05335604e-31  2.23326024e-10]
 [ 1.79764836e-09  2.02134242e-30 -2.23884483e-09]
 [-1.79764836e-09 -1.01067121e-30 -2.23884483e-09]
 [-1.79764836e-09  1.01067121e-30  2.23884483e-09]
 [ 1.79764836e-09 -1.01067121e-30  2.23884483e-09]
 [ 3.84375332e-09 -1.01067121e-30  1.43102069e-09]
 [-3.84375332e-09  3.04403224e-45  1.43102069e-09]
 [-3.84375332e-09  1.01067121e-30 -1.43102069e-09]
 [ 3.84375332e-09 -2.02134242e-30 -1.43102069e-09]
 [ 2.10789458e-09 -1.01067121e-30  1.83758189e-09]
 [-2.10789458e-09 -1.01067121e-30  1.83758189e-09]
 [-2.10789458e-09 -2.02134242e-30 -1.83758189e-09]
 [ 2.10789458e-09  1.01067121e-30 -1.83758189e-09]]
stress =  [ 1.15916913e-10 -1.29183174e-10  7.03096839e-11  0.00000000e+00
  0.00000000e+00  4.19653082e-33]
energy per atom =  -6.884228859772299
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0