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 12:02:43       -7.046300         0.614180
BFGS:    1 12:02:43       -7.056410         0.503322
BFGS:    2 12:02:43       -7.092531         0.344719
BFGS:    3 12:02:43       -7.107550         0.567422
BFGS:    4 12:02:43       -7.130438         0.888504
BFGS:    5 12:02:43       -7.162074         1.179655
BFGS:    6 12:02:43       -7.195527         1.428795
BFGS:    7 12:02:43       -7.230876         1.651466
BFGS:    8 12:02:43       -7.276017         1.861319
BFGS:    9 12:02:43       -7.338569         2.080026
BFGS:   10 12:02:43       -7.423803         2.276471
BFGS:   11 12:02:43       -7.529179         2.449251
BFGS:   12 12:02:43       -7.651368         2.593831
BFGS:   13 12:02:43       -7.785683         2.690363
BFGS:   14 12:02:43       -7.924162         2.705891
BFGS:   15 12:02:43       -8.055922         2.585514
BFGS:   16 12:02:43       -8.171169         2.272476
BFGS:   17 12:02:43       -8.262610         1.639273
BFGS:   18 12:02:43       -8.355744         1.346473
BFGS:   19 12:02:43       -8.499112         1.112027
BFGS:   20 12:02:43       -8.619521         0.786639
BFGS:   21 12:02:43       -8.698090         0.471832
BFGS:   22 12:02:43       -8.718246         0.237919
BFGS:   23 12:02:43       -8.719516         0.068302
BFGS:   24 12:02:43       -8.719639         0.021972
BFGS:   25 12:02:43       -8.719672         0.008085
BFGS:   26 12:02:43       -8.719677         0.002650
BFGS:   27 12:02:44       -8.719677         0.000354
BFGS:   28 12:02:44       -8.719677         0.000014
BFGS:   29 12:02:44       -8.719677         0.000000
BFGS:   30 12:02:44       -8.719677         0.000000
Minimization converged after 30 steps.
Maximum force component: 5.3463822139517185e-09 eV/Angstrom
Maximum stress component: 5.31791279549385e-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([[3.490539221561852, -5.595891243680017e-17, -4.603864045637741e-36], [-1.745269610780926, 3.0228956387785226, 1.0161154364034146e-36], [6.239898023567227e-36, -2.2690233842272068e-35, 4.056080828856618]])
forces =  [[-4.15900771e-31 -7.45201309e-32  5.34638197e-09]
 [ 1.14731247e-31 -1.98720349e-31  5.34638197e-09]
 [-5.73656235e-32  9.93601746e-32 -5.34638221e-09]
 [ 1.43414059e-32 -2.48400436e-32 -5.34638221e-09]]
stress =  [-4.46955116e-12 -4.46955116e-12 -5.31791280e-10  4.18870199e-35
  7.25504466e-35 -5.17475265e-28]
energy per atom =  -2.179919205995253
===============================================
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.