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 14:14:37      -43.538043        37.520321
BFGS:    1 14:14:37      -45.286703        17.806924
BFGS:    2 14:14:37      -45.755097         7.531784
BFGS:    3 14:14:37      -45.922137         2.748207
BFGS:    4 14:14:37      -45.960723         0.310026
BFGS:    5 14:14:37      -45.961300         0.029304
BFGS:    6 14:14:37      -45.961303         0.003296
BFGS:    7 14:14:37      -45.961303         0.000219
BFGS:    8 14:14:37      -45.961303         0.000003
BFGS:    9 14:14:37      -45.961303         0.000000
BFGS:   10 14:14:37      -45.961303         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.733214702769126e-31 eV/Angstrom
Maximum stress component: 3.1094889281225935e-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([[3.695745342419098, 6.803461974169603e-18, 3.7917208332453936e-35], [-1.847872671209549, 3.2006093524529575, -1.8940504408939244e-34], [-8.081151213382501e-35, -6.59078475816968e-35, 6.035247261307302]])
forces =  [[-2.73321470e-31  5.26007415e-32 -5.60541349e-66]
 [ 3.03690523e-32 -5.26007415e-32  3.11279655e-66]]
stress =  [ 3.10948893e-11  3.10948893e-11  1.65640027e-11 -8.29112995e-46
 -4.64009917e-46  2.94477893e-28]
energy per atom =  -22.98065173972138
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0