element(s):
['Co', 'Mn']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7042']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Mn']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7042, 0, 0], [0, 3.7042, 0], [0, 0, 3.7042]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 19:06:42      -33.384998        5.9494
BFGS:    1 19:06:42      -34.188202        4.6730
BFGS:    2 19:06:42      -34.760096        2.8622
BFGS:    3 19:06:42      -35.016499        0.4430
BFGS:    4 19:06:42      -35.021573        0.0778
BFGS:    5 19:06:42      -35.021729        0.0017
BFGS:    6 19:06:42      -35.021729        0.0000
BFGS:    7 19:06:42      -35.021729        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.090926605159494e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Mn']
basis =  [[1.92303927e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.16514973e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5580540559028315, -2.0353615497158673e-32, 7.771438582892831e-34], [-1.0216969786899354e-32, 3.5580540559028315, 5.316937033059418e-18], [-3.2760869836516976e-33, 5.316937033059424e-18, 3.5580540559028315]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.09092661e-11 -4.09092661e-11 -4.09092661e-11 -1.67742412e-28
  6.49088802e-34  1.59683153e-50]
energy per atom =  -8.755432331571317
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0