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_001
==== 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 11:03:38     -111.885023         2.190598
BFGS:    1 11:03:39     -112.528242         1.940955
BFGS:    2 11:03:39     -113.002990         1.825900
BFGS:    3 11:03:39     -113.357822         1.697945
BFGS:    4 11:03:39     -113.600311         1.578209
BFGS:    5 11:03:40     -113.794667         1.463761
BFGS:    6 11:03:40     -113.967857         1.353037
BFGS:    7 11:03:40     -114.130453         1.245291
BFGS:    8 11:03:41     -114.286285         1.140154
BFGS:    9 11:03:41     -114.436339         1.037370
BFGS:   10 11:03:41     -114.580335         0.936926
BFGS:   11 11:03:41     -114.717379         0.864338
BFGS:   12 11:03:42     -114.846325         0.830112
BFGS:   13 11:03:42     -114.965885         0.780015
BFGS:   14 11:03:42     -115.074826         0.716654
BFGS:   15 11:03:43     -115.172003         0.642206
BFGS:   16 11:03:43     -115.256406         0.558446
BFGS:   17 11:03:43     -115.327174         0.466785
BFGS:   18 11:03:43     -115.383590         0.368276
BFGS:   19 11:03:44     -115.425057         0.263519
BFGS:   20 11:03:44     -115.451047         0.152330
BFGS:   21 11:03:44     -115.460945         0.032064
BFGS:   22 11:03:45     -115.461071         0.017081
BFGS:   23 11:03:45     -115.461130         0.006925
BFGS:   24 11:03:45     -115.461164         0.001822
BFGS:   25 11:03:45     -115.461167         0.000594
BFGS:   26 11:03:46     -115.461167         0.000077
BFGS:   27 11:03:46     -115.461167         0.000003
BFGS:   28 11:03:46     -115.461167         0.000000
BFGS:   29 11:03:47     -115.461167         0.000000
BFGS:   30 11:03:47     -115.461167         0.000000
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