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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 17:04:51       -8.803739        2.4590
BFGS:    1 17:04:51       -9.061834        2.4370
BFGS:    2 17:04:51       -9.423679        2.3829
BFGS:    3 17:04:51       -9.775180        2.2982
BFGS:    4 17:04:51      -10.109439        2.1694
BFGS:    5 17:04:51      -10.424078        2.0139
BFGS:    6 17:04:51      -10.710989        1.8029
BFGS:    7 17:04:51      -10.962142        1.5358
BFGS:    8 17:04:51      -11.168502        1.2041
BFGS:    9 17:04:51      -11.319667        0.7982
BFGS:   10 17:04:51      -11.403700        0.3071
BFGS:   11 17:04:51      -11.416132        0.0487
BFGS:   12 17:04:51      -11.416428        0.0024
BFGS:   13 17:04:51      -11.416429        0.0000
BFGS:   14 17:04:52      -11.416429        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.972888585025481e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.11176193e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6926669998534227, 9.858010673131329e-33, -9.653797756413533e-35], [1.4647023468427894e-32, 3.6926669998534227, 1.3308818487305953e-17], [4.28832854704014e-34, 1.3308818487305945e-17, 3.6926669998534236]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.97288859e-10 -4.97288859e-10 -4.97288859e-10 -1.12349910e-27
  2.12896596e-59  1.42003322e-58]
energy per atom =  -2.8541071570860974
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0