element(s):
['Y']
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:
['3.6555', '1.5493093']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Y']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.6555, 0, 0], [-1.82775, 3.165755863534, 0], [0, 0, 5.6635]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:11:34      -43.538043       37.5203
BFGS:    1 15:11:34      -45.286703       17.8069
BFGS:    2 15:11:34      -45.755097        7.5318
BFGS:    3 15:11:34      -45.922137        2.7482
BFGS:    4 15:11:34      -45.960723        0.3100
BFGS:    5 15:11:34      -45.961300        0.0293
BFGS:    6 15:11:34      -45.961303        0.0033
BFGS:    7 15:11:34      -45.961303        0.0002
BFGS:    8 15:11:34      -45.961303        0.0000
BFGS:    9 15:11:34      -45.961303        0.0000
BFGS:   10 15:11:34      -45.961303        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.108451312524803e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y', 'Y']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.695745342419095, 1.1975359444075345e-17, -5.006365983274554e-36], [-1.8478726712095475, 3.2006093524529553, 1.3209887266960888e-35], [-3.558767626568025e-35, 2.3960677492510826e-35, 6.0352472613073]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.10845131e-11 3.10845131e-11 1.65576825e-11 2.50350895e-45
 1.13490216e-45 6.99260512e-27]
energy per atom =  -22.980651739721395
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0