element(s):
['Mn', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5181']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.5181, 0, 0], [0, 4.5181, 0], [0, 0, 4.5181]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:36:53      -50.555588        8.8772
BFGS:    1 14:36:53      -51.893424        8.9571
BFGS:    2 14:36:53      -53.241547        9.0137
BFGS:    3 14:36:53      -54.596193        9.0433
BFGS:    4 14:36:54      -55.953996        9.0911
BFGS:    5 14:36:54      -57.315445        9.0551
BFGS:    6 14:36:54      -58.668417        8.9771
BFGS:    7 14:36:54      -60.006156        8.8508
BFGS:    8 14:36:54      -61.320892        8.6691
BFGS:    9 14:36:54      -62.603714        8.4239
BFGS:   10 14:36:54      -63.844424        8.1060
BFGS:   11 14:36:55      -65.032045        7.7129
BFGS:   12 14:36:55      -66.153110        7.2178
BFGS:   13 14:36:55      -67.192017        6.6151
BFGS:   14 14:36:55      -68.131525        5.8899
BFGS:   15 14:36:55      -68.952032        5.0255
BFGS:   16 14:36:55      -69.631266        4.0029
BFGS:   17 14:36:55      -70.147716        2.8558
BFGS:   18 14:36:55      -70.473582        1.4530
BFGS:   19 14:36:55      -70.572089        0.1805
BFGS:   20 14:36:55      -70.573478        0.0123
BFGS:   21 14:36:55      -70.573485        0.0001
BFGS:   22 14:36:55      -70.573485        0.0000
BFGS:   23 14:36:55      -70.573485        0.0000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8064449893728204e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.71722564e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.36118525e-49 0.00000000e+00]
 [6.86890255e-49 5.00000000e-01 0.00000000e+00]
 [3.43445128e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.984495402097077, -1.283863229498163e-33, -1.1490362150243529e-32], [5.5561731227815786e-33, 3.984495402097077, -2.3296089927914537e-17], [1.0177385950091269e-32, -2.3296089927914564e-17, 3.984495402097077]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.80644499e-14  1.80644499e-14  1.80644499e-14 -1.88532446e-30
  5.17586024e-34 -3.26768883e-50]
energy per atom =  -8.821685595205564
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0