element(s):
['Fe', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3217']
model name:
Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.3217, 0, 0], [0, 4.3217, 0], [0, 0, 4.3217]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:29:18     -272.731009        6.3300
BFGS:    1 14:29:18     -272.319601        5.8615
BFGS:    2 14:29:18     -271.870145        5.4136
BFGS:    3 14:29:18     -271.384824        4.9854
BFGS:    4 14:29:18     -270.865918        4.5757
BFGS:    5 14:29:18     -270.314865        4.1843
BFGS:    6 14:29:18     -269.733851        3.8103
BFGS:    7 14:29:18     -269.124670        3.4526
BFGS:    8 14:29:18     -268.488834        3.1106
BFGS:    9 14:29:18     -267.827782        2.7839
BFGS:   10 14:29:18     -267.143091        2.4717
BFGS:   11 14:29:18     -266.436466        2.1733
BFGS:   12 14:29:18     -265.709040        1.8882
BFGS:   13 14:29:18     -264.962266        1.6159
BFGS:   14 14:29:18     -264.197034        1.3561
BFGS:   15 14:29:18     -263.415206        1.1077
BFGS:   16 14:29:18     -262.617197        0.8705
BFGS:   17 14:29:18     -261.804727        0.6440
BFGS:   18 14:29:18     -260.978479        0.4279
BFGS:   19 14:29:18     -260.139653        0.2216
BFGS:   20 14:29:18     -259.288729        0.0248
BFGS:   21 14:29:18     -259.180916        0.0006
BFGS:   22 14:29:18     -259.178071        0.0000
BFGS:   23 14:29:18     -259.178049        0.0000
BFGS:   24 14:29:18     -259.178060        0.0000
BFGS:   25 14:29:18     -259.178051        0.0000
BFGS:   26 14:29:18     -259.178051        0.0000
Minimization converged after 26 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.241655755071151e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.37505204e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.09682811e-67 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.62525325e-49 3.95842007e-34 5.00000000e-01]]
cellpar =  Cell([[4.865400619369849, 5.442306134325925e-32, 2.034027231393198e-32], [1.4742585938411516e-32, 4.865400619369849, 5.357024380410487e-18], [2.7734625923373974e-32, 5.357024380410481e-18, 4.865400619369849]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.24165576e-10 -4.24165576e-10 -4.24165576e-10  6.80360912e-26
 -3.73164613e-33  5.81582702e-49]
energy per atom =  -32.39725635731888
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0