element(s):
['Co', 'Ni']
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:
['3.6559']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6559, 0, 0], [0, 3.6559, 0], [0, 0, 3.6559]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:10:30       -7.027312         1.290398
BFGS:    1 13:10:37       -7.096158         1.197486
BFGS:    2 13:10:43       -7.253287         0.880638
BFGS:    3 13:10:49       -7.354652         0.449659
BFGS:    4 13:10:56       -7.381160         0.120413
BFGS:    5 13:11:04       -7.382858         0.012070
BFGS:    6 13:11:11       -7.382876         0.000278
BFGS:    7 13:11:17       -7.382876         0.000001
BFGS:    8 13:11:24       -7.382876         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1901554804512055e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ni']
basis =  [[2.67983899e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.07359624e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.07359624e-17]
 [1.35237225e-66 6.07359624e-17 6.07359624e-17]]
cellpar =  Cell([[3.510707847986844, 3.496719277555923e-33, 5.8112939073531786e-33], [6.030086930463369e-34, 3.510707847986844, -3.259980759976933e-18], [8.720548580382171e-33, -3.259980759976943e-18, 3.510707847986844]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.19015548e-12  3.19015548e-12  3.19015548e-12  3.21588602e-28
  1.46324130e-60 -2.02365948e-62]
energy per atom =  -1.8457189569912873
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 [Errno 12] Cannot allocate memory
No parameter sets in this group successfully added a property instance. Skipping this group.