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_000
==== 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 12:39:05       -6.064265         0.799529
BFGS:    1 12:39:07       -6.090539         0.733281
BFGS:    2 12:39:08       -6.175625         0.384297
BFGS:    3 12:39:10       -6.200110         0.079366
BFGS:    4 12:39:11       -6.200999         0.009392
BFGS:    5 12:39:13       -6.201012         0.000195
BFGS:    6 12:39:14       -6.201012         0.000000
BFGS:    7 12:39:16       -6.201012         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1599239584271568e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Mn']
basis =  [[1.42227951e-49 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([[3.608087017857852, -4.8550466561683385e-33, -1.0911330890133708e-33], [-2.720646167264044e-33, 3.608087017857852, 2.4155196615369146e-18], [-5.2901184267992506e-34, 2.4155196615369108e-18, 3.608087017857852]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.15992396e-12  2.15992396e-12  2.15992396e-12 -2.36971617e-28
 -7.89014905e-35  5.05952025e-51]
energy per atom =  -1.5502529977468227
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0