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_KimShinLee_2009_FeMn__MO_058735400462_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 15:18:54       -9.191538         2.318282
BFGS:    1 15:18:54       -9.420585         2.290772
BFGS:    2 15:18:54       -9.759918         2.229472
BFGS:    3 15:18:54      -10.088073         2.141088
BFGS:    4 15:18:54      -10.400684         2.021479
BFGS:    5 15:18:54      -10.692724         1.866002
BFGS:    6 15:18:54      -10.958431         1.669452
BFGS:    7 15:18:54      -11.191216         1.426006
BFGS:    8 15:18:54      -11.383564         1.129155
BFGS:    9 15:18:54      -11.526930         0.771627
BFGS:   10 15:18:54      -11.611615         0.345312
BFGS:   11 15:18:54      -11.629696         0.056601
BFGS:   12 15:18:54      -11.630151         0.003282
BFGS:   13 15:18:54      -11.630153         0.000029
BFGS:   14 15:18:54      -11.630153         0.000000
BFGS:   15 15:18:54      -11.630153         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.6109078876190965e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.11364854e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.67180905e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6864113213029044, -1.1856292147773265e-32, 2.6778414389661934e-32], [-2.018902150141997e-32, 3.6864113213029044, 2.105479139479807e-17], [-2.5230085387120816e-32, 2.1054791394798083e-17, 3.6864113213029044]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.61090789e-15  4.61090789e-15  4.61090789e-15  6.68766594e-33
 -9.44803828e-36 -1.33490865e-52]
energy per atom =  -2.907538137944956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0