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 15:17:00       -2.164585         1.611190
BFGS:    1 15:17:00       -2.271503         1.665584
BFGS:    2 15:17:00       -2.506696         1.757056
BFGS:    3 15:17:00       -2.736240         1.770554
BFGS:    4 15:17:00       -2.941729         1.655287
BFGS:    5 15:17:00       -3.097136         1.331210
BFGS:    6 15:17:00       -3.173798         0.670068
BFGS:    7 15:17:00       -3.181634         0.342819
BFGS:    8 15:17:00       -3.185721         0.241275
BFGS:    9 15:17:01       -3.189999         0.027815
BFGS:   10 15:17:01       -3.190036         0.002909
BFGS:   11 15:17:01       -3.190037         0.000328
BFGS:   12 15:17:01       -3.190037         0.000000
BFGS:   13 15:17:01       -3.190037         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.980515434277387e-33 eV/Angstrom
Maximum stress component: 1.8514161161436514e-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, 1.561200320423803e-17, -1.1170219721969336e-36], [-1.1865254928301427, 2.0551224380575075, 1.1697874576097967e-36], [-1.9053709639081914e-37, -3.9891707964510936e-35, 3.875253334640226]])
forces =  [[ 1.95712586e-70  4.09752719e-68 -3.98051543e-33]
 [-1.95712586e-70 -4.09752719e-68  3.98051543e-33]]
stress =  [-1.85141612e-12 -1.85141612e-12  7.46241289e-13  6.44868879e-34
  2.23389132e-34  3.68697799e-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