element(s):
['Mn']
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:
['4.2351']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CrMn__MO_671124822359_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2351, 0, 0], [0, 4.2351, 0], [0, 0, 4.2351]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:54       -9.186593         2.323033
BFGS:    1 15:24:54       -9.416600         2.295875
BFGS:    2 15:24:54       -9.756743         2.235167
BFGS:    3 15:24:54      -10.085795         2.147345
BFGS:    4 15:24:54      -10.399384         2.028245
BFGS:    5 15:24:54      -10.692472         1.873190
BFGS:    6 15:24:54      -10.959282         1.676938
BFGS:    7 15:24:54      -11.193201         1.433619
BFGS:    8 15:24:54      -11.386687         1.136666
BFGS:    9 15:24:54      -11.531154         0.778735
BFGS:   10 15:24:54      -11.616850         0.351630
BFGS:   11 15:24:54      -11.635534         0.058348
BFGS:   12 15:24:54      -11.636015         0.003446
BFGS:   13 15:24:54      -11.636016         0.000031
BFGS:   14 15:24:54      -11.636016         0.000000
BFGS:   15 15:24:54      -11.636016         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.0324893296553085e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.685784546622306, 6.616864200175608e-33, -4.373964550500818e-33], [3.549726982916121e-33, 3.6857845466223056, -5.338989762172111e-17], [5.662881968538129e-33, -5.3389897621721124e-17, 3.6857845466223056]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.03248933e-15  6.03248933e-15  6.03248933e-15 -5.61557670e-32
 -1.89025037e-35  8.13795165e-52]
energy per atom =  -2.909004052582236
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0