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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:24:35      -15.734469         5.003432
BFGS:    1 15:24:35      -16.484047         4.968688
BFGS:    2 15:24:35      -17.219773         4.822413
BFGS:    3 15:24:35      -17.924391         4.548263
BFGS:    4 15:24:35      -18.576858         4.123251
BFGS:    5 15:24:35      -19.149373         3.469864
BFGS:    6 15:24:35      -19.604052         2.540628
BFGS:    7 15:24:35      -19.896728         1.305425
BFGS:    8 15:24:35      -19.969110         0.425213
BFGS:    9 15:24:35      -19.975954         0.048173
BFGS:   10 15:24:35      -19.976048         0.001527
BFGS:   11 15:24:35      -19.976048         0.000006
BFGS:   12 15:24:36      -19.976048         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.3964246849092954e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.29518124e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.41797208e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8232301371655795, -5.469140140146018e-32, 1.0645128974727844e-32], [-6.63109441658916e-32, 3.8232301371655786, 4.076854264808072e-17], [1.0682736552962618e-32, 4.076854264808073e-17, 3.82323013716558]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.39642468e-11  4.39642468e-11  4.39642468e-11 -6.83319887e-27
  2.45949745e-34 -2.63217809e-50]
energy per atom =  -4.9940119300655255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0