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 19:10:43      -20.231767         2.533296
BFGS:    1 19:10:43      -20.503159         2.464227
BFGS:    2 19:10:43      -20.864465         2.349203
BFGS:    3 19:10:43      -21.206648         2.208734
BFGS:    4 19:10:43      -21.525648         2.039510
BFGS:    5 19:10:43      -21.816878         1.837814
BFGS:    6 19:10:43      -22.075196         1.600075
BFGS:    7 19:10:43      -22.294784         1.320471
BFGS:    8 19:10:43      -22.469011         0.994329
BFGS:    9 19:10:43      -22.590463         0.615776
BFGS:   10 19:10:43      -22.650795         0.178224
BFGS:   11 19:10:43      -22.655730         0.018581
BFGS:   12 19:10:43      -22.655782         0.000485
BFGS:   13 19:10:43      -22.655782         0.000001
BFGS:   14 19:10:43      -22.655782         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.6529519722363783e-32 eV/Angstrom
Maximum stress component: 8.752289581386004e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[6.41570780e-34 1.02722533e-33 6.42039341e-34]
 [1.02797014e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.94159364e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.09690959e-33]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.213867658434252, 4.07085007108662e-33, -1.5280014833489527e-33], [1.5784642260778313e-33, 4.213867658434252, -2.6520914513860814e-18], [2.852404880789044e-34, -2.6520914513860795e-18, 4.213867658434252]])
forces =  [[ 2.70520464e-34  8.11561391e-34 -5.10774234e-52]
 [ 1.21734209e-33  8.11561391e-34  1.35260232e-34]
 [ 2.02667435e-67  5.41040927e-34 -3.40516156e-52]
 [ 5.41040927e-34  1.08208185e-33 -6.81032312e-52]
 [-1.96127336e-32  1.62312278e-32  2.16416371e-33]
 [ 3.57087012e-32 -7.57457298e-33  1.89364324e-33]
 [-1.51491460e-32  3.24624556e-32  4.65295197e-32]
 [ 3.30034965e-32 -1.51491460e-32 -2.16416371e-33]]
stress =  [-8.75228958e-12 -8.75228958e-12 -8.75228958e-12 -1.14627126e-27
 -1.35137880e-61  6.69409006e-61]
energy per atom =  -2.8319727113238122
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0