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 09:20:21      -36.217502       27.9050
BFGS:    1 09:20:21      -40.314900       13.3430
BFGS:    2 09:20:21      -42.167753        3.5293
BFGS:    3 09:20:21      -42.314616        2.3875
BFGS:    4 09:20:21      -42.351159        0.3261
BFGS:    5 09:20:21      -42.353705        0.1843
BFGS:    6 09:20:21      -42.354970        0.0300
BFGS:    7 09:20:21      -42.354976        0.0035
BFGS:    8 09:20:21      -42.354976        0.0000
BFGS:    9 09:20:21      -42.354976        0.0000
Minimization converged after 9 steps.
Maximum force component: 4.655903243126924e-10 eV/Angstrom
Maximum stress component: 9.158473645103569e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 7.67622748e-85 1.11944984e-85]
 [2.80885224e-01 2.80885224e-01 2.80885224e-01]
 [7.19114776e-01 7.19114776e-01 2.80885224e-01]
 [7.19114776e-01 2.80885224e-01 7.19114776e-01]
 [2.80885224e-01 7.19114776e-01 7.19114776e-01]]
cellpar =  Cell([[4.023505769594997, -8.712920965393011e-34, -2.797289703928108e-35], [6.0886341642554494e-33, 4.023505769594997, -4.499841132670871e-19], [8.244599229157663e-35, -4.499841132670857e-19, 4.023505769594997]])
forces =  [[-6.61247167e-32  1.43193390e-65  4.59723435e-67]
 [ 4.65590324e-10  4.65590324e-10  4.65590324e-10]
 [-4.65590324e-10 -4.65590324e-10  4.65590324e-10]
 [-4.65590324e-10  4.65590324e-10 -4.65590324e-10]
 [ 4.65590324e-10 -4.65590324e-10 -4.65590324e-10]]
stress =  [-9.15847365e-11 -9.15847365e-11 -9.15847365e-11 -2.87450490e-29
  4.06078439e-33  6.54977982e-51]
energy per atom =  -8.470995207059715
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0