element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP10_156_2a2bc_2a2bc
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8', 'z9', 'z10']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0942', '4.090201', '0.15006489', '0.75008767', '0.00011035469', '0.59980949', '0.54971634', '0.9503951', '0.39975113', '0.80010106', '0.34996937', '0.19994208']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[3.3333333e-01 6.6666667e-01 1.5006489e-01]
 [3.3333333e-01 6.6666667e-01 7.5008767e-01]
 [0.0000000e+00 0.0000000e+00 5.4971634e-01]
 [0.0000000e+00 0.0000000e+00 9.5039510e-01]
 [6.6666667e-01 3.3333333e-01 3.4996937e-01]
 [3.3333333e-01 6.6666667e-01 1.1035469e-04]
 [3.3333333e-01 6.6666667e-01 5.9980949e-01]
 [0.0000000e+00 0.0000000e+00 3.9975113e-01]
 [0.0000000e+00 0.0000000e+00 8.0010106e-01]
 [6.6666667e-01 3.3333333e-01 1.9994208e-01]]
spacegroup =  156
cell =  [[3.0942, 0, 0], [-1.5471, 2.6796558043898, 0], [0, 0, 12.6559]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:37:51       -3.391891         1.316635
BFGS:    1 12:37:51       -3.136050         8.249049
BFGS:    2 12:37:51       -3.397244         0.528746
BFGS:    3 12:37:51       -3.381594         2.147844
BFGS:    4 12:37:52       -3.397829         0.569870
BFGS:    5 12:37:52       -3.382662         2.499457
BFGS:    6 12:37:52       -3.398899         0.070874
BFGS:    7 12:37:52       -3.398818         0.210818
BFGS:    8 12:37:52       -3.399102         0.093730
BFGS:    9 12:37:52       -3.398906         0.263066
BFGS:   10 12:37:52       -3.399328         0.045524
BFGS:   11 12:37:52       -3.399366         0.021800
BFGS:   12 12:37:52       -3.399390         0.017449
BFGS:   13 12:37:52       -3.399402         0.020503
BFGS:   14 12:37:52       -3.399428         0.018425
BFGS:   15 12:37:52       -3.399446         0.015329
BFGS:   16 12:37:52       -3.399467         0.014725
BFGS:   17 12:37:52       -3.399499         0.028918
BFGS:   18 12:37:52       -3.399569         0.051354
BFGS:   19 12:37:52       -3.399699         0.070651
BFGS:   20 12:37:52       -3.399868         0.066601
BFGS:   21 12:37:52       -3.399974         0.036055
BFGS:   22 12:37:52       -3.399998         0.007605
BFGS:   23 12:37:52       -3.400000         0.000326
BFGS:   24 12:37:52       -3.400000         0.000048
BFGS:   25 12:37:52       -3.400000         0.000011
BFGS:   26 12:37:52       -3.400000         0.000009
BFGS:   27 12:37:52       -3.400000         0.000003
BFGS:   28 12:37:52       -3.400000         0.000001
BFGS:   29 12:37:52       -3.400000         0.000000
BFGS:   30 12:37:52       -3.400000         0.000000
Minimization converged after 30 steps.
Maximum force component: 6.568159793829407e-09 eV/Angstrom
Maximum stress component: 2.2351912924536002e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 1.49994748e-01]
 [3.33333330e-01 6.66666670e-01 7.49994748e-01]
 [9.99999997e-01 3.33333328e-09 5.49994748e-01]
 [9.99999997e-01 3.33333328e-09 9.49994748e-01]
 [6.66666663e-01 3.33333337e-01 3.49994748e-01]
 [3.33333330e-01 6.66666670e-01 9.99994748e-01]
 [3.33333330e-01 6.66666670e-01 5.99994748e-01]
 [9.99999997e-01 3.33333328e-09 3.99994748e-01]
 [9.99999997e-01 3.33333328e-09 7.99994748e-01]
 [6.66666663e-01 3.33333337e-01 1.99994748e-01]]
cellpar =  Cell([[3.0826991811374995, 1.7963398150294706e-19, 1.7327219983375186e-37], [-1.5413495905687498, 2.6696958030905615, -9.221668206096569e-37], [7.0760460316775115e-37, 1.9631498695334967e-36, 12.58506670647128]])
forces =  [[-4.99421534e-47 -1.38557510e-46 -8.88243701e-10]
 [-2.87285430e-46 -7.97033191e-46 -5.10950082e-09]
 [-6.00076041e-47 -1.66482693e-46 -1.06726228e-09]
 [-6.48485564e-30  5.61604973e-30  4.81877649e-10]
 [-1.56955903e-47 -4.35452170e-47 -2.79153145e-10]
 [ 6.48485564e-30 -5.61604973e-30 -3.94553190e-09]
 [ 6.48485564e-30 -5.61604973e-30  6.56815979e-09]
 [ 5.25747604e-47  1.45861309e-46  9.35065803e-10]
 [ 2.06035718e-46  5.71617244e-46  3.66443809e-09]
 [-2.02328011e-47 -5.61330729e-47 -3.59849484e-10]]
stress =  [ 8.62175874e-11  8.62175874e-11 -2.23519129e-10  1.46948176e-44
  5.12695137e-45 -4.35685302e-26]
energy per atom =  -0.34000000000657105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0