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 15:46:12       -7.046300        0.6142
BFGS:    1 15:46:12       -7.056410        0.5033
BFGS:    2 15:46:12       -7.092531        0.3447
BFGS:    3 15:46:12       -7.107550        0.5674
BFGS:    4 15:46:12       -7.130438        0.8885
BFGS:    5 15:46:12       -7.162074        1.1797
BFGS:    6 15:46:12       -7.195527        1.4288
BFGS:    7 15:46:12       -7.230876        1.6515
BFGS:    8 15:46:12       -7.276017        1.8613
BFGS:    9 15:46:12       -7.338569        2.0800
BFGS:   10 15:46:12       -7.423803        2.2765
BFGS:   11 15:46:12       -7.529179        2.4493
BFGS:   12 15:46:12       -7.651368        2.5938
BFGS:   13 15:46:12       -7.785683        2.6904
BFGS:   14 15:46:12       -7.924162        2.7059
BFGS:   15 15:46:12       -8.055922        2.5855
BFGS:   16 15:46:13       -8.171169        2.2725
BFGS:   17 15:46:13       -8.262610        1.6393
BFGS:   18 15:46:13       -8.355744        1.3465
BFGS:   19 15:46:13       -8.499112        1.1120
BFGS:   20 15:46:13       -8.619521        0.7866
BFGS:   21 15:46:13       -8.698090        0.4718
BFGS:   22 15:46:13       -8.718246        0.2379
BFGS:   23 15:46:13       -8.719516        0.0683
BFGS:   24 15:46:13       -8.719639        0.0220
BFGS:   25 15:46:13       -8.719672        0.0081
BFGS:   26 15:46:13       -8.719677        0.0026
BFGS:   27 15:46:13       -8.719677        0.0004
BFGS:   28 15:46:13       -8.719677        0.0000
BFGS:   29 15:46:13       -8.719677        0.0000
BFGS:   30 15:46:13       -8.719677        0.0000
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.