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:
MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_002
==== 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 14:50:20       -6.612794        2.4431
BFGS:    1 14:50:20       -6.857171        2.2117
BFGS:    2 14:50:20       -7.155356        1.7324
BFGS:    3 14:50:20       -7.366172        1.0382
BFGS:    4 14:50:20       -7.453268        0.0724
BFGS:    5 14:50:20       -7.453605        0.0128
BFGS:    6 14:50:20       -7.453616        0.0001
BFGS:    7 14:50:20       -7.453616        0.0000
BFGS:    8 14:50:20       -7.453616        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6605667709211575e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Mn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8342758488216275, 3.1510173715202225e-32, -9.785902859471493e-33], [-1.1097121529584123e-32, 2.8342758488216275, -4.4221890062216476e-18], [9.393699333120935e-33, -4.422189006221669e-18, 2.8342758488216275]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.66056677e-13 -2.66056677e-13 -2.66056677e-13  5.54077996e-31
  7.99162319e-36 -3.03380858e-53]
energy per atom =  -3.726807987438377
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0