element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:18:48     -111.885023        2.1906
BFGS:    1 14:18:48     -112.528242        1.9410
BFGS:    2 14:18:48     -113.002990        1.8259
BFGS:    3 14:18:48     -113.357822        1.6979
BFGS:    4 14:18:48     -113.600311        1.5782
BFGS:    5 14:18:48     -113.794667        1.4638
BFGS:    6 14:18:48     -113.967857        1.3530
BFGS:    7 14:18:48     -114.130453        1.2453
BFGS:    8 14:18:48     -114.286285        1.1402
BFGS:    9 14:18:48     -114.436339        1.0374
BFGS:   10 14:18:48     -114.580335        0.9369
BFGS:   11 14:18:48     -114.717379        0.8643
BFGS:   12 14:18:48     -114.846325        0.8301
BFGS:   13 14:18:48     -114.965885        0.7800
BFGS:   14 14:18:48     -115.074826        0.7167
BFGS:   15 14:18:48     -115.172003        0.6422
BFGS:   16 14:18:48     -115.256406        0.5584
BFGS:   17 14:18:48     -115.327174        0.4668
BFGS:   18 14:18:48     -115.383590        0.3683
BFGS:   19 14:18:48     -115.425057        0.2635
BFGS:   20 14:18:48     -115.451047        0.1523
BFGS:   21 14:18:48     -115.460945        0.0321
BFGS:   22 14:18:48     -115.461071        0.0171
BFGS:   23 14:18:48     -115.461130        0.0069
BFGS:   24 14:18:48     -115.461164        0.0018
BFGS:   25 14:18:48     -115.461167        0.0006
BFGS:   26 14:18:48     -115.461167        0.0001
BFGS:   27 14:18:48     -115.461167        0.0000
BFGS:   28 14:18:48     -115.461167        0.0000
BFGS:   29 14:18:48     -115.461167        0.0000
BFGS:   30 14:18:48     -115.461167        0.0000
Minimization converged after 30 steps.
Maximum force component: 3.5659345846520795e-09 eV/Angstrom
Maximum stress component: 1.8891759591262656e-11 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', 'C', 'C', 'C', 'C']
basis =  [[0.25306736 0.25306736 0.25306736]
 [0.74693264 0.74693264 0.25306736]
 [0.74693264 0.25306736 0.74693264]
 [0.25306736 0.74693264 0.74693264]
 [0.25306736 0.25306736 0.74693264]
 [0.74693264 0.74693264 0.74693264]
 [0.25306736 0.74693264 0.25306736]
 [0.74693264 0.25306736 0.25306736]
 [0.5        0.1468138  0.1468138 ]
 [0.5        0.8531862  0.1468138 ]
 [0.5        0.1468138  0.8531862 ]
 [0.5        0.8531862  0.8531862 ]
 [0.1468138  0.5        0.1468138 ]
 [0.1468138  0.5        0.8531862 ]
 [0.8531862  0.5        0.1468138 ]
 [0.8531862  0.5        0.8531862 ]
 [0.1468138  0.1468138  0.5       ]
 [0.8531862  0.1468138  0.5       ]
 [0.1468138  0.8531862  0.5       ]
 [0.8531862  0.8531862  0.5       ]]
cellpar =  Cell([[5.480383482750773, -2.161050349366384e-32, 3.140798790870498e-32], [6.871590468321281e-32, 5.480383482750773, -1.852455601235704e-17], [2.3003184113004194e-32, -1.852455601235706e-17, 5.480383482750773]])
forces =  [[ 9.92831743e-12  9.92831743e-12  9.92831743e-12]
 [-9.92831743e-12 -9.92831743e-12  9.92831743e-12]
 [-9.92831743e-12  9.92831743e-12 -9.92831743e-12]
 [ 9.92831743e-12 -9.92831743e-12 -9.92831743e-12]
 [ 9.92831743e-12  9.92831743e-12 -9.92831743e-12]
 [-9.92831743e-12 -9.92831743e-12 -9.92831743e-12]
 [ 9.92831743e-12 -9.92831743e-12  9.92831743e-12]
 [-9.92831743e-12  9.92831743e-12  9.92831743e-12]
 [ 2.25169805e-32 -3.56593458e-09 -3.56593458e-09]
 [ 7.88094321e-32  3.56593458e-09 -3.56593458e-09]
 [ 4.50339612e-32 -3.56593458e-09  3.56593458e-09]
 [-5.62924514e-32  3.56593458e-09  3.56593458e-09]
 [-3.56593458e-09  1.20534184e-26 -3.56593458e-09]
 [-3.56593458e-09 -1.20533283e-26  3.56593458e-09]
 [ 3.56593458e-09  1.20534184e-26 -3.56593458e-09]
 [ 3.56593458e-09 -1.20535084e-26  3.56593458e-09]
 [-3.56593458e-09 -3.56593458e-09  1.20533959e-26]
 [ 3.56593458e-09 -3.56593458e-09  1.20535084e-26]
 [-3.56593458e-09  3.56593458e-09 -1.20533508e-26]
 [ 3.56593458e-09  3.56593458e-09 -1.20535084e-26]]
stress =  [1.88917596e-11 1.88917596e-11 1.88917596e-11 2.35152743e-27
 7.86235976e-59 6.76102729e-59]
energy per atom =  -5.773058350289119
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0