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_KimJungLee_2010_FeNbC__MO_072689718616_001
==== 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 15:36:41      -39.754858         8.353108
BFGS:    1 15:36:41      -41.118243         7.351955
BFGS:    2 15:36:41      -42.164817         6.440391
BFGS:    3 15:36:41      -43.021579         5.595592
BFGS:    4 15:36:41      -43.731739         4.808956
BFGS:    5 15:36:41      -44.316638         4.075904
BFGS:    6 15:36:41      -44.790452         3.393361
BFGS:    7 15:36:41      -45.164797         2.758783
BFGS:    8 15:36:41      -45.450152         2.167266
BFGS:    9 15:36:41      -45.656997         1.624481
BFGS:   10 15:36:41      -45.795830         1.121323
BFGS:   11 15:36:41      -45.876167         0.659800
BFGS:   12 15:36:42      -45.909069         0.242780
BFGS:   13 15:36:42      -45.913941         0.269526
BFGS:   14 15:36:42      -45.919281         0.294218
BFGS:   15 15:36:42      -45.924517         0.254241
BFGS:   16 15:36:42      -45.927209         0.175533
BFGS:   17 15:36:42      -45.928357         0.115047
BFGS:   18 15:36:42      -45.929435         0.079994
BFGS:   19 15:36:42      -45.930788         0.067354
BFGS:   20 15:36:42      -45.931714         0.044801
BFGS:   21 15:36:42      -45.932015         0.024668
BFGS:   22 15:36:42      -45.932069         0.015635
BFGS:   23 15:36:42      -45.932084         0.007371
BFGS:   24 15:36:42      -45.932089         0.003908
BFGS:   25 15:36:42      -45.932090         0.002115
BFGS:   26 15:36:42      -45.932090         0.002432
BFGS:   27 15:36:42      -45.932091         0.002664
BFGS:   28 15:36:42      -45.932091         0.002290
BFGS:   29 15:36:42      -45.932092         0.001166
BFGS:   30 15:36:42      -45.932092         0.000324
BFGS:   31 15:36:42      -45.932092         0.000046
BFGS:   32 15:36:42      -45.932092         0.000004
BFGS:   33 15:36:42      -45.932092         0.000000
BFGS:   34 15:36:42      -45.932092         0.000000
Minimization converged after 34 steps.
Maximum force component: 5.041626977009274e-10 eV/Angstrom
Maximum stress component: 4.752844987755172e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.         0.         0.        ]
 [0.5        0.5        0.5       ]
 [0.22609516 0.65179125 0.        ]
 [0.77390484 0.34820875 0.        ]
 [0.27390484 0.15179125 0.5       ]
 [0.72609516 0.84820875 0.5       ]]
cellpar =  Cell([[5.109709498859609, 2.0740870803928147e-35, 0.0], [-9.06144974414216e-36, 5.505362136128081, 0.0], [0.0, 0.0, 3.122856148654156]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.04162698e-10  3.67663254e-10  0.00000000e+00]
 [-5.04162698e-10 -3.67663254e-10  0.00000000e+00]
 [-5.04162698e-10  3.67663254e-10  0.00000000e+00]
 [ 5.04162698e-10 -3.67663254e-10  0.00000000e+00]]
stress =  [3.12966363e-10 3.33204974e-10 4.75284499e-10 0.00000000e+00
 0.00000000e+00 1.75266272e-33]
energy per atom =  -7.655348654269524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0