element(s):
['O', 'Zn']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4976']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.4976, 0, 0], [0, 4.4976, 0], [0, 0, 4.4976]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:08      -20.231767         2.533296
BFGS:    1 15:18:08      -20.503159         2.464227
BFGS:    2 15:18:08      -20.864465         2.349203
BFGS:    3 15:18:08      -21.206648         2.208734
BFGS:    4 15:18:08      -21.525648         2.039510
BFGS:    5 15:18:08      -21.816878         1.837814
BFGS:    6 15:18:08      -22.075196         1.600075
BFGS:    7 15:18:08      -22.294784         1.320471
BFGS:    8 15:18:08      -22.469011         0.994329
BFGS:    9 15:18:08      -22.590463         0.615776
BFGS:   10 15:18:08      -22.650795         0.178224
BFGS:   11 15:18:08      -22.655730         0.018581
BFGS:   12 15:18:08      -22.655782         0.000485
BFGS:   13 15:18:09      -22.655782         0.000001
BFGS:   14 15:18:09      -22.655782         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.540259092523315e-31 eV/Angstrom
Maximum stress component: 8.752347208977415e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.213867658434252, 6.856325253591873e-33, -7.789761116359737e-34], [9.70459053004598e-34, 4.213867658434252, 7.265130148474715e-19], [6.121092323557307e-34, 7.2651301484747095e-19, 4.213867658434252]])
forces =  [[-6.50222005e-66 -1.73133097e-32 -1.73133097e-32]
 [ 1.73133097e-32  1.73133097e-32  1.73133097e-32]
 [ 1.73133097e-32 -1.73133097e-32 -2.98498810e-51]
 [ 1.73133097e-32  2.98498810e-51  1.73133097e-32]
 [ 5.54025909e-31  4.50146051e-31 -4.75033934e-31]
 [ 3.12721656e-31  1.39268109e-31 -2.69708902e-31]
 [ 3.15967901e-31 -1.03879858e-31 -2.42386335e-31]
 [ 4.84772671e-31 -4.06862777e-31  2.42386335e-31]]
stress =  [-8.75234721e-12 -8.75234721e-12 -8.75234721e-12  7.77568625e-30
 -6.96814276e-62  2.62278705e-61]
energy per atom =  -2.8319727113238113
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0