element(s):
['O', 'Zn']
AFLOW prototype label:
AB_cP2_221_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:
['2.6268']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Zn']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.6268, 0, 0], [0, 2.6268, 0], [0, 0, 2.6268]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:48       -5.892806        4.9709
BFGS:    1 15:22:48       -6.681541        5.5573
BFGS:    2 15:22:48       -7.554752        6.0733
BFGS:    3 15:22:48       -8.497133        6.4603
BFGS:    4 15:22:48       -9.479341        6.5709
BFGS:    5 15:22:48      -10.444249        6.1669
BFGS:    6 15:22:48      -11.284491        4.8284
BFGS:    7 15:22:48      -11.804237        1.7332
BFGS:    8 15:22:48      -11.834787        1.1817
BFGS:    9 15:22:48      -11.852183        0.1285
BFGS:   10 15:22:48      -11.852411        0.0082
BFGS:   11 15:22:48      -11.852412        0.0001
BFGS:   12 15:22:48      -11.852412        0.0000
BFGS:   13 15:22:48      -11.852412        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8667562671629773e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Zn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.14368442706857, -5.370242728728548e-33, -6.311019218915153e-33], [-6.16101534733163e-33, 2.14368442706857, -1.659582703954904e-17], [-2.53238633225629e-32, -1.659582703954904e-17, 2.14368442706857]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.86675627e-14  1.86675627e-14  1.86675627e-14 -8.07092100e-30
 -3.57632921e-33  9.10317480e-49]
energy per atom =  -5.92620608821863
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0