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 09:25:24      -33.384998         5.949367
BFGS:    1 09:25:24      -34.188202         4.672962
BFGS:    2 09:25:24      -34.760096         2.862241
BFGS:    3 09:25:24      -35.016499         0.442963
BFGS:    4 09:25:24      -35.021573         0.077766
BFGS:    5 09:25:24      -35.021729         0.001668
BFGS:    6 09:25:24      -35.021729         0.000006
BFGS:    7 09:25:24      -35.021729         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0910511571151135e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Mn']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.24772459e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.558054055902831, -7.868002977147719e-33, -3.2039784100259144e-34], [-6.464073923698324e-33, 3.558054055902831, 5.316942273675351e-18], [-5.973797541248174e-33, 5.31694227367536e-18, 3.558054055902831]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.09105116e-11 -4.09105116e-11 -4.09105116e-11  8.88854602e-27
  8.11361003e-35 -1.64180015e-50]
energy per atom =  -8.755432331571315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0