element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_cP5_215_a_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.088', '0.26455447']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.26455447 0.26455447 0.26455447]]
spacegroup =  215
cell =  [[4.088, 0, 0], [0, 4.088, 0], [0, 0, 4.088]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:12      -36.217502        27.904973
BFGS:    1 16:02:12      -40.314900        13.343015
BFGS:    2 16:02:12      -42.167753         3.529336
BFGS:    3 16:02:12      -42.314616         2.387517
BFGS:    4 16:02:12      -42.351159         0.326116
BFGS:    5 16:02:12      -42.353705         0.184333
BFGS:    6 16:02:12      -42.354970         0.030016
BFGS:    7 16:02:12      -42.354976         0.003472
BFGS:    8 16:02:12      -42.354976         0.000001
BFGS:    9 16:02:12      -42.354976         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.656931973608621e-10 eV/Angstrom
Maximum stress component: 9.159189079481272e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.         0.         0.        ]
 [0.28088522 0.28088522 0.28088522]
 [0.71911478 0.71911478 0.28088522]
 [0.71911478 0.28088522 0.71911478]
 [0.28088522 0.71911478 0.71911478]]
cellpar =  Cell([[4.023505769594995, -1.4620591201826226e-33, -1.6027762041622946e-34], [5.162191176324139e-33, 4.023505769594995, -4.1926120753496453e-19], [1.724151533729195e-34, -4.192612075349637e-19, 4.023505769594995]])
forces =  [[ 1.32249433e-31 -2.64498867e-31 -2.64498867e-31]
 [ 4.65693197e-10  4.65693197e-10  4.65693197e-10]
 [-4.65693197e-10 -4.65693197e-10  4.65693197e-10]
 [-4.65693197e-10  4.65693197e-10 -4.65693197e-10]
 [ 4.65693197e-10 -4.65693197e-10 -4.65693197e-10]]
stress =  [-9.15918908e-11 -9.15918908e-11 -9.15918908e-11  1.02418668e-28
 -6.09117658e-33  7.79898552e-51]
energy per atom =  -8.470995207059708
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0