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 11:33:36       -5.892806         4.970936
BFGS:    1 11:33:36       -6.681541         5.557339
BFGS:    2 11:33:36       -7.554752         6.073280
BFGS:    3 11:33:36       -8.497133         6.460324
BFGS:    4 11:33:36       -9.479341         6.570875
BFGS:    5 11:33:36      -10.444249         6.166943
BFGS:    6 11:33:36      -11.284491         4.828400
BFGS:    7 11:33:36      -11.804237         1.733186
BFGS:    8 11:33:36      -11.834787         1.181744
BFGS:    9 11:33:36      -11.852183         0.128457
BFGS:   10 11:33:36      -11.852411         0.008245
BFGS:   11 11:33:36      -11.852412         0.000063
BFGS:   12 11:33:36      -11.852412         0.000000
BFGS:   13 11:33:36      -11.852412         0.000000
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