element(s):
['Zn']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6771', '1.7211908']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zn']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6771, 0, 0], [-1.33855, 2.3184366084713, 0], [0, 0, 4.6078]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:11:34       -2.164585        1.6112
BFGS:    1 15:11:34       -2.271503        1.6656
BFGS:    2 15:11:34       -2.506696        1.7571
BFGS:    3 15:11:34       -2.736240        1.7706
BFGS:    4 15:11:34       -2.941729        1.6553
BFGS:    5 15:11:34       -3.097136        1.3312
BFGS:    6 15:11:34       -3.173798        0.6701
BFGS:    7 15:11:34       -3.181634        0.3428
BFGS:    8 15:11:34       -3.185721        0.2413
BFGS:    9 15:11:34       -3.189999        0.0278
BFGS:   10 15:11:34       -3.190036        0.0029
BFGS:   11 15:11:34       -3.190037        0.0003
BFGS:   12 15:11:34       -3.190037        0.0000
BFGS:   13 15:11:34       -3.190037        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.980515434277387e-33 eV/Angstrom
Maximum stress component: 1.851415106476861e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zn', 'Zn']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.3730509856602855, -2.672754879766387e-18, -2.0624277374986892e-36], [-1.1865254928301427, 2.0551224380575075, -4.0711770889759855e-36], [2.2305579745848884e-36, -1.2213175605413297e-35, 3.875253334640226]])
forces =  [[-2.29114581e-69  1.25449177e-68 -3.98051543e-33]
 [ 2.29114581e-69 -1.25449177e-68  3.98051543e-33]]
stress =  [-1.85141511e-12 -1.85141511e-12  7.46235988e-13 -1.28973776e-34
  2.23389132e-34 -2.07866068e-28]
energy per atom =  -1.595018306150955
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0