element(s):
['Co', 'Mn']
AFLOW prototype label:
AB_cP2_221_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:
['3.1285']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Mn']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1285, 0, 0], [0, 3.1285, 0], [0, 0, 3.1285]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:36:52      -12.243778         6.337858
BFGS:    1 17:36:52      -13.118746         5.168519
BFGS:    2 17:36:53      -13.733713         2.785037
BFGS:    3 17:36:53      -13.851668         1.631818
BFGS:    4 17:36:53      -13.886764         0.299051
BFGS:    5 17:36:53      -13.888163         0.025466
BFGS:    6 17:36:54      -13.888173         0.000452
BFGS:    7 17:36:54      -13.888173         0.000001
BFGS:    8 17:36:54      -13.888173         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3044145155330414e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Mn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.917873636654028, -1.1242695836249682e-34, -9.39582763002716e-33], [-6.20107904830285e-33, 2.917873636654028, -4.671599103739803e-19], [-2.6378284325540503e-34, -4.671599103739842e-19, 2.917873636654028]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.30441452e-12  1.30441452e-12  1.30441452e-12  7.02702841e-28
 -6.03220730e-34 -1.72824577e-49]
energy per atom =  -6.944086725882269
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0