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:
MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_002
==== 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 18:15:46      -16.035197        1.4427
BFGS:    1 18:15:46      -16.120128        1.3031
BFGS:    2 18:15:46      -16.287952        0.9249
BFGS:    3 18:15:46      -16.394544        0.4856
BFGS:    4 18:15:46      -16.430254        0.0214
BFGS:    5 18:15:46      -16.430316        0.0015
BFGS:    6 18:15:46      -16.430317        0.0000
BFGS:    7 18:15:46      -16.430317        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.397869485463647e-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 4.34252974e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5480331692849996, -1.1579765522527263e-32, -2.241996922420715e-32], [2.6782625155767883e-33, 3.5480331692849996, 4.24528396454756e-18], [-4.6227013512132595e-33, 4.2452839645475465e-18, 3.5480331692849996]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.39786949e-11 -6.39786949e-11 -6.39786949e-11 -4.35454245e-27
  9.79140731e-34 -4.53453594e-49]
energy per atom =  -4.107579173051296
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0