element(s):
['Ni']
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:
['3.5048']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:33:56       -7.452397         0.037892
BFGS:    1 15:33:56       -7.452453         0.031819
BFGS:    2 15:33:57       -7.452588         0.000254
BFGS:    3 15:33:57       -7.452588         0.000002
BFGS:    4 15:33:58       -7.452588         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.230746462580037e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.44500021e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.14833340e-37]]
cellpar =  Cell([[3.5018604815403593, -5.866458720007061e-34, -4.826554365285341e-33], [1.7599122578895137e-33, 3.5018604815403593, 7.121595675516461e-21], [8.845202282251776e-33, 7.121595675510595e-21, 3.5018604815403593]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.23074646e-12  8.23074646e-12  8.23074646e-12  1.42526625e-27
 -1.63275213e-59 -5.80756736e-61]
energy per atom =  -1.8631469929482751
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0