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 12:12:05      -50.555588         8.877191
BFGS:    1 12:12:05      -51.893424         8.957056
BFGS:    2 12:12:06      -53.241547         9.013739
BFGS:    3 12:12:06      -54.596193         9.043349
BFGS:    4 12:12:06      -55.953996         9.091087
BFGS:    5 12:12:06      -57.315445         9.055058
BFGS:    6 12:12:06      -58.668417         8.977081
BFGS:    7 12:12:07      -60.006156         8.850818
BFGS:    8 12:12:07      -61.320892         8.669110
BFGS:    9 12:12:07      -62.603714         8.423875
BFGS:   10 12:12:07      -63.844424         8.105989
BFGS:   11 12:12:08      -65.032045         7.712880
BFGS:   12 12:12:08      -66.153110         7.217841
BFGS:   13 12:12:08      -67.192017         6.615123
BFGS:   14 12:12:09      -68.131525         5.889910
BFGS:   15 12:12:09      -68.952032         5.025475
BFGS:   16 12:12:09      -69.631266         4.002925
BFGS:   17 12:12:10      -70.147716         2.855803
BFGS:   18 12:12:10      -70.473582         1.452998
BFGS:   19 12:12:10      -70.572089         0.180460
BFGS:   20 12:12:10      -70.573478         0.012254
BFGS:   21 12:12:11      -70.573485         0.000094
BFGS:   22 12:12:11      -70.573485         0.000000
BFGS:   23 12:12:11      -70.573485         0.000000
Minimization converged after 23 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7597075619448048e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.93342419e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.93342419e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.20205795e-48]
 [0.00000000e+00 5.00000000e-01 1.93342419e-33]
 [9.85440894e-67 1.16005451e-33 5.00000000e-01]]
cellpar =  Cell([[3.984495402097077, -8.633345723580413e-33, 5.223924829472515e-33], [-3.3847415546979836e-33, 3.984495402097077, 1.3656524686042549e-17], [-7.539491659029995e-33, 1.3656524686042498e-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 =  [ 1.75970756e-14  1.75970756e-14  1.75970756e-14 -8.25850504e-31
  2.93952240e-62  2.46938993e-63]
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