element(s):
['Be', '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:
['2.7102', '1.6238654', '9.9344193e-05', '0.37800066']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.50009934]
 [0.33333333 0.66666667 0.87800066]]
spacegroup =  186
cell =  [[2.7102, 0, 0], [-1.3551, 2.3471020493366, 0], [0, 0, 4.401]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:40:29      -18.828871        4.5445
BFGS:    1 15:40:29      -19.416370        3.9899
BFGS:    2 15:40:29      -19.928659        3.3688
BFGS:    3 15:40:29      -20.314478        2.4678
BFGS:    4 15:40:29      -20.548009        1.4051
BFGS:    5 15:40:29      -20.607644        0.3525
BFGS:    6 15:40:29      -20.611351        0.6506
BFGS:    7 15:40:29      -20.619464        0.7016
BFGS:    8 15:40:29      -20.656372        0.9049
BFGS:    9 15:40:29      -20.636209        2.1647
BFGS:   10 15:40:30      -20.800101        2.5603
BFGS:   11 15:40:30      -20.958363        2.8955
BFGS:   12 15:40:30      -21.107365        3.0968
BFGS:   13 15:40:30      -21.247109        3.2755
BFGS:   14 15:40:30      -21.374693        3.2703
BFGS:   15 15:40:30      -21.491778        3.4604
BFGS:   16 15:40:30      -21.597750        4.2008
BFGS:   17 15:40:30      -21.695853        4.8894
BFGS:   18 15:40:30      -21.785895        5.4881
BFGS:   19 15:40:30      -21.869054        6.0520
BFGS:   20 15:40:30      -21.946992        6.5319
BFGS:   21 15:40:30      -22.018141        6.8903
BFGS:   22 15:40:30      -22.078551        7.1296
BFGS:   23 15:40:30      -22.130890        7.1174
BFGS:   24 15:40:30      -22.212508        6.9114
BFGS:   25 15:40:30      -22.599026        6.0229
BFGS:   26 15:40:30      -23.405446        5.9157
BFGS:   27 15:40:30      -24.030517        5.7130
BFGS:   28 15:40:30      -24.602053        5.4013
BFGS:   29 15:40:30      -25.125848        4.8790
BFGS:   30 15:40:30      -25.594382        4.1445
BFGS:   31 15:40:30      -25.982132        3.1884
BFGS:   32 15:40:30      -26.261760        1.8641
BFGS:   33 15:40:30      -26.390610        0.4977
BFGS:   34 15:40:30      -26.394698        0.0771
BFGS:   35 15:40:30      -26.394778        0.0113
BFGS:   36 15:40:30      -26.394779        0.0005
BFGS:   37 15:40:30      -26.394779        0.0000
BFGS:   38 15:40:30      -26.394779        0.0000
BFGS:   39 15:40:30      -26.394779        0.0000
BFGS:   40 15:40:31      -26.394779        0.0000
Minimization converged after 40 steps.
Maximum force component: 5.673313103755472e-12 eV/Angstrom
Maximum stress component: 2.5904905896286393e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.43905   ]
 [0.66666666 0.33333334 0.93905   ]
 [0.33333333 0.66666667 0.93905   ]
 [0.66666666 0.33333334 0.43905   ]]
cellpar =  Cell([[2.702532651805224, 5.613057416233194e-17, -1.4217126607371917e-36], [-1.351266325902612, 2.340461931020249, -4.490835963020436e-36], [-1.3986829457663634e-34, -4.1029529346240585e-35, 3.136599757543007]])
forces =  [[ 1.76549820e-30 -5.96200692e-31  5.67331310e-12]
 [-3.58096333e-30  1.27894665e-30  5.67331310e-12]
 [-1.42128157e-30  4.46837725e-47 -5.67264353e-12]
 [ 8.43885932e-31 -1.46165331e-30 -5.67264353e-12]]
stress =  [-1.14495935e-11 -1.14495935e-11  2.59049059e-11  2.64246861e-45
  4.50379635e-46  4.41225564e-27]
energy per atom =  -6.598694743772736
===============================================
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.