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:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== 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 10:27:46       -6.064265         0.799529
BFGS:    1 10:27:46       -6.090539         0.733281
BFGS:    2 10:27:47       -6.175625         0.384297
BFGS:    3 10:27:47       -6.200110         0.079366
BFGS:    4 10:27:48       -6.200999         0.009392
BFGS:    5 10:27:48       -6.201012         0.000195
BFGS:    6 10:27:48       -6.201012         0.000000
BFGS:    7 10:27:49       -6.201012         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.16033193668172e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Mn']
basis =  [[9.48186341e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6080870178578524, -2.3284968178693214e-33, -3.5465741527582327e-34], [-2.7203781545514143e-33, 3.6080870178578524, 2.4153631917783097e-18], [-1.3506213003898494e-35, 2.4153631917783113e-18, 3.6080870178578524]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.16033194e-12  2.16033194e-12  2.16033194e-12  5.58215248e-29
 -1.18352236e-34 -1.86823633e-51]
energy per atom =  -1.5502529977468216
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0