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_NiMn__MO_348689608050_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       -9.191538        2.3183
BFGS:    1 17:04:51       -9.420585        2.2908
BFGS:    2 17:04:51       -9.759918        2.2295
BFGS:    3 17:04:51      -10.088073        2.1411
BFGS:    4 17:04:51      -10.400684        2.0215
BFGS:    5 17:04:51      -10.692661        1.8637
BFGS:    6 17:04:51      -10.958933        1.6773
BFGS:    7 17:04:51      -11.192909        1.4340
BFGS:    8 17:04:51      -11.386456        1.1371
BFGS:    9 17:04:51      -11.530995        0.7793
BFGS:   10 17:04:51      -11.616779        0.3523
BFGS:   11 17:04:51      -11.635531        0.0585
BFGS:   12 17:04:51      -11.636014        0.0035
BFGS:   13 17:04:51      -11.636016        0.0000
BFGS:   14 17:04:51      -11.636016        0.0000
BFGS:   15 17:04:51      -11.636016        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.783928823000979e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.00454273e-34]]
cellpar =  Cell([[3.6857845544353265, -1.9412789153711556e-32, 2.916411286981628e-33], [-1.387075316935772e-32, 3.6857845544353265, 7.732596693301652e-19], [1.8921663344861168e-35, 7.73259669330161e-19, 3.6857845544353265]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.78392882e-15  5.78392882e-15  5.78392882e-15 -6.69207717e-32
  3.78050073e-35 -8.53711720e-52]
energy per atom =  -2.9090040524745575
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0