element(s):
['Co']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5722']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:37       -7.292104         0.651584
BFGS:    1 15:16:37       -7.309210         0.572860
BFGS:    2 15:16:38       -7.359303         0.072379
BFGS:    3 15:16:38       -7.359972         0.011181
BFGS:    4 15:16:39       -7.359988         0.000164
BFGS:    5 15:16:39       -7.359988         0.000000
BFGS:    6 15:16:40       -7.359988         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0823966908163462e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.42582076e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.85164153e-36]]
cellpar =  Cell([[3.5136286978980187, -1.532862657878436e-33, 9.712543250632473e-34], [-2.484280294726424e-33, 3.5136286978980187, 8.393718146423502e-20], [-1.716191994752598e-34, 8.393718146423576e-20, 3.5136286978980187]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.08239669e-12 -1.08239669e-12 -1.08239669e-12  5.09099616e-29
  5.20004976e-36  1.27553158e-52]
energy per atom =  -1.839996911952306
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0