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_001
==== 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 15:18:53       -9.186593         2.323033
BFGS:    1 15:18:53       -9.416600         2.295875
BFGS:    2 15:18:53       -9.756743         2.235167
BFGS:    3 15:18:53      -10.085795         2.147345
BFGS:    4 15:18:53      -10.399384         2.028245
BFGS:    5 15:18:53      -10.692472         1.873190
BFGS:    6 15:18:53      -10.959282         1.676938
BFGS:    7 15:18:53      -11.193201         1.433619
BFGS:    8 15:18:53      -11.386687         1.136666
BFGS:    9 15:18:53      -11.531154         0.778735
BFGS:   10 15:18:53      -11.616850         0.351630
BFGS:   11 15:18:53      -11.635534         0.058348
BFGS:   12 15:18:53      -11.636015         0.003446
BFGS:   13 15:18:53      -11.636016         0.000031
BFGS:   14 15:18:53      -11.636016         0.000000
BFGS:   15 15:18:53      -11.636016         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.6687054022525235e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.96148700e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.68837339e-33]]
cellpar =  Cell([[3.685784546622305, 1.1779160411887182e-32, -9.322438782345117e-33], [-8.428671897178072e-34, 3.685784546622305, 7.892545106605915e-17], [2.3645052796963842e-32, 7.892545106605911e-17, 3.685784546622305]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.66870540e-15  5.66870540e-15  5.66870540e-15 -2.87699861e-31
 -2.36281297e-36  3.46880557e-52]
energy per atom =  -2.9090040525822363
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0