element(s):
['Mg', 'O']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3247', '1.5341535', '0.50012898', '0.89444102']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.50012898]
 [0.33333333 0.66666667 0.89444102]]
spacegroup =  186
cell =  [[3.3247, 0, 0], [-1.66235, 2.8792746599621, 0], [0, 0, 5.1006]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:47:36       -7.046300         0.614180
BFGS:    1 12:47:37       -7.056410         0.503322
BFGS:    2 12:47:37       -7.092531         0.344719
BFGS:    3 12:47:37       -7.107550         0.567422
BFGS:    4 12:47:37       -7.130438         0.888504
BFGS:    5 12:47:38       -7.162074         1.179655
BFGS:    6 12:47:38       -7.195527         1.428795
BFGS:    7 12:47:38       -7.230876         1.651466
BFGS:    8 12:47:38       -7.276017         1.861319
BFGS:    9 12:47:38       -7.338569         2.080026
BFGS:   10 12:47:39       -7.423803         2.276471
BFGS:   11 12:47:39       -7.529179         2.449251
BFGS:   12 12:47:39       -7.651368         2.593831
BFGS:   13 12:47:40       -7.785683         2.690363
BFGS:   14 12:47:40       -7.924162         2.705891
BFGS:   15 12:47:40       -8.055922         2.585514
BFGS:   16 12:47:41       -8.171169         2.272476
BFGS:   17 12:47:41       -8.262610         1.639273
BFGS:   18 12:47:41       -8.355744         1.346473
BFGS:   19 12:47:42       -8.499112         1.112027
BFGS:   20 12:47:42       -8.619521         0.786639
BFGS:   21 12:47:42       -8.698090         0.471832
BFGS:   22 12:47:43       -8.718246         0.237919
BFGS:   23 12:47:43       -8.719516         0.068302
BFGS:   24 12:47:43       -8.719639         0.021972
BFGS:   25 12:47:44       -8.719672         0.008085
BFGS:   26 12:47:44       -8.719677         0.002650
BFGS:   27 12:47:45       -8.719677         0.000354
BFGS:   28 12:47:45       -8.719677         0.000014
BFGS:   29 12:47:45       -8.719677         0.000000
BFGS:   30 12:47:46       -8.719677         0.000000
Minimization converged after 30 steps.
Maximum force component: 5.346385214684516e-09 eV/Angstrom
Maximum stress component: 5.317908442680109e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.447285  ]
 [0.66666666 0.33333334 0.947285  ]
 [0.33333333 0.66666667 0.947285  ]
 [0.66666666 0.33333334 0.447285  ]]
cellpar =  Cell([[3.4905392215618547, 3.0390610826469806e-17, 6.146504588796617e-36], [-1.7452696107809273, 3.022895638778524, 1.746006873848313e-35], [2.9254853881944366e-36, 5.542675263019557e-36, 4.056080828856618]])
forces =  [[ 3.85612919e-45  7.30588912e-45  5.34638517e-09]
 [ 3.85612919e-45  7.30588912e-45  5.34638517e-09]
 [-3.85612923e-45 -7.30588919e-45 -5.34638521e-09]
 [-3.85612923e-45 -7.30588919e-45 -5.34638521e-09]]
stress =  [-4.46677798e-12 -4.46677798e-12 -5.31790844e-10 -1.56929818e-45
  5.80403573e-34 -5.02249146e-28]
energy per atom =  -2.1799192059952532
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.