element(s):
['C', 'Fe']
AFLOW prototype label:
AB2_oP6_58_a_g
Parameter names:
['a', 'b/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:
['4.5942', '1.0976013', '0.64781681', '0.25388226', '0.65830555']
model name:
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.25388226 0.65830555 0.        ]]
spacegroup =  58
cell =  [[4.5942, 0, 0], [0, 5.0426, 0], [0, 0, 2.9762]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:54:26      -30.997394         2.934630
BFGS:    1 20:54:26      -31.284276         2.791303
BFGS:    2 20:54:26      -31.559999         2.223489
BFGS:    3 20:54:26      -31.754116         2.010007
BFGS:    4 20:54:26      -31.937273         1.854334
BFGS:    5 20:54:26      -32.102887         1.849202
BFGS:    6 20:54:26      -32.239905         1.905692
BFGS:    7 20:54:26      -32.345466         1.843061
BFGS:    8 20:54:26      -32.424244         1.798614
BFGS:    9 20:54:26      -32.587495         0.689842
BFGS:   10 20:54:26      -32.670595         0.805550
BFGS:   11 20:54:26      -32.721293         1.929145
BFGS:   12 20:54:26      -32.718017         1.452584
BFGS:   13 20:54:26      -32.742730         0.605622
BFGS:   14 20:54:26      -32.771973         0.979305
BFGS:   15 20:54:26      -32.786651         0.961939
BFGS:   16 20:54:26      -32.801875         0.341821
BFGS:   17 20:54:26      -32.810372         0.329022
BFGS:   18 20:54:26      -32.814393         0.128097
BFGS:   19 20:54:26      -32.815526         0.147535
BFGS:   20 20:54:26      -32.816545         0.087922
BFGS:   21 20:54:26      -32.816604         0.030913
BFGS:   22 20:54:26      -32.816616         0.025279
BFGS:   23 20:54:26      -32.816625         0.027410
BFGS:   24 20:54:26      -32.816655         0.034929
BFGS:   25 20:54:26      -32.816368         0.273062
BFGS:   26 20:54:26      -32.816667         0.024146
BFGS:   27 20:54:26      -32.816673         0.021710
BFGS:   28 20:54:26      -32.816686         0.015846
BFGS:   29 20:54:26      -32.816685         0.016260
BFGS:   30 20:54:26      -32.816688         0.012841
BFGS:   31 20:54:26      -32.816652         0.102998
BFGS:   32 20:54:26      -32.816688         0.001782
BFGS:   33 20:54:26      -32.816688         0.000747
BFGS:   34 20:54:26      -32.816688         0.000001
BFGS:   35 20:54:26      -32.816688         0.000000
BFGS:   36 20:54:26      -32.816688         0.000000
BFGS:   37 20:54:26      -32.816688         0.000000
Minimization converged after 37 steps.
Maximum force component: 2.9648328436424065e-09 eV/Angstrom
Maximum stress component: 2.3707564596602434e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.49571431e-01 6.36204374e-01 5.61886300e-36]
 [7.50428569e-01 3.63795626e-01 0.00000000e+00]
 [2.50428569e-01 1.36204374e-01 5.00000000e-01]
 [7.49571431e-01 8.63795626e-01 5.00000000e-01]]
cellpar =  Cell([[4.281175718185361, -1.7155275704581707e-36, 0.0], [-2.854463752119164e-35, 4.446690254022123, 0.0], [0.0, 0.0, 3.029702624954734]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.96483284e-09 -3.65461628e-11  0.00000000e+00]
 [ 2.96483284e-09  3.65461628e-11 -1.49375872e-31]
 [ 2.96483284e-09 -3.65461628e-11  1.49375872e-31]
 [-2.96483284e-09  3.65461628e-11  0.00000000e+00]]
stress =  [-2.37075646e-10  1.54642756e-10  2.05462243e-10  0.00000000e+00
  0.00000000e+00  5.17977046e-33]
energy per atom =  -5.4694480724763075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0