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 13:40:30      -30.997394        2.9346
BFGS:    1 13:40:30      -31.284276        2.7913
BFGS:    2 13:40:30      -31.559999        2.2235
BFGS:    3 13:40:30      -31.754116        2.0100
BFGS:    4 13:40:30      -31.937273        1.8543
BFGS:    5 13:40:30      -32.102887        1.8492
BFGS:    6 13:40:30      -32.239905        1.9057
BFGS:    7 13:40:30      -32.345466        1.8431
BFGS:    8 13:40:30      -32.424244        1.7986
BFGS:    9 13:40:30      -32.587495        0.6898
BFGS:   10 13:40:30      -32.670595        0.8055
BFGS:   11 13:40:30      -32.721293        1.9291
BFGS:   12 13:40:30      -32.718017        1.4526
BFGS:   13 13:40:30      -32.742730        0.6056
BFGS:   14 13:40:30      -32.771973        0.9793
BFGS:   15 13:40:30      -32.786651        0.9619
BFGS:   16 13:40:30      -32.801875        0.3418
BFGS:   17 13:40:30      -32.810372        0.3290
BFGS:   18 13:40:30      -32.814393        0.1281
BFGS:   19 13:40:30      -32.815526        0.1475
BFGS:   20 13:40:30      -32.816545        0.0879
BFGS:   21 13:40:30      -32.816604        0.0309
BFGS:   22 13:40:30      -32.816616        0.0253
BFGS:   23 13:40:30      -32.816625        0.0274
BFGS:   24 13:40:30      -32.816655        0.0349
BFGS:   25 13:40:30      -32.816368        0.2731
BFGS:   26 13:40:30      -32.816667        0.0241
BFGS:   27 13:40:30      -32.816673        0.0217
BFGS:   28 13:40:30      -32.816686        0.0158
BFGS:   29 13:40:30      -32.816685        0.0163
BFGS:   30 13:40:30      -32.816688        0.0128
BFGS:   31 13:40:30      -32.816652        0.1030
BFGS:   32 13:40:30      -32.816688        0.0018
BFGS:   33 13:40:30      -32.816688        0.0007
BFGS:   34 13:40:30      -32.816688        0.0000
BFGS:   35 13:40:30      -32.816688        0.0000
BFGS:   36 13:40:30      -32.816688        0.0000
BFGS:   37 13:40:30      -32.816688        0.0000
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