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 15:49:31      -50.555588         8.877191
BFGS:    1 15:49:31      -51.893424         8.957056
BFGS:    2 15:49:31      -53.241547         9.013739
BFGS:    3 15:49:31      -54.596193         9.043349
BFGS:    4 15:49:31      -55.953996         9.091087
BFGS:    5 15:49:31      -57.315445         9.055058
BFGS:    6 15:49:31      -58.668417         8.977081
BFGS:    7 15:49:31      -60.006156         8.850818
BFGS:    8 15:49:32      -61.320892         8.669110
BFGS:    9 15:49:32      -62.603714         8.423875
BFGS:   10 15:49:32      -63.844424         8.105989
BFGS:   11 15:49:32      -65.032045         7.712880
BFGS:   12 15:49:32      -66.153110         7.217841
BFGS:   13 15:49:32      -67.192017         6.615123
BFGS:   14 15:49:32      -68.131525         5.889910
BFGS:   15 15:49:32      -68.952032         5.025475
BFGS:   16 15:49:32      -69.631266         4.002925
BFGS:   17 15:49:32      -70.147716         2.855803
BFGS:   18 15:49:32      -70.473582         1.452998
BFGS:   19 15:49:32      -70.572089         0.180460
BFGS:   20 15:49:32      -70.573478         0.012254
BFGS:   21 15:49:32      -70.573485         0.000094
BFGS:   22 15:49:32      -70.573485         0.000000
BFGS:   23 15:49:32      -70.573485         0.000000
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