element(s):
['Se']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8311']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[2.8311, 0, 0], [0, 2.8311, 0], [0, 0, 2.8311]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:16:31       -8.731371       14.9728
BFGS:    1 14:16:31      -11.242741       18.5407
BFGS:    2 14:16:31      -14.227383       20.8581
BFGS:    3 14:16:31      -17.212157       17.2607
BFGS:    4 14:16:31      -18.490103        5.3719
BFGS:    5 14:16:31      -18.523860        2.9945
BFGS:    6 14:16:31      -18.544690        0.2233
BFGS:    7 14:16:31      -18.544861        0.1830
BFGS:    8 14:16:31      -18.543162        0.9186
BFGS:    9 14:16:31      -18.544933        0.0031
BFGS:   10 14:16:31      -18.544933        0.0001
BFGS:   11 14:16:31      -18.544933        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9843123876958466e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2847399989871344, 6.478598227857021e-33, -1.1384905973598579e-33], [1.3631928166020565e-32, 2.2847399989871344, -1.3160795110124068e-17], [1.4942914659275543e-33, -1.3160795110124065e-17, 2.2847399989871344]])
forces =  [[0. 0. 0.]]
stress =  [-1.98431239e-10 -1.98431239e-10 -1.98431239e-10 -3.53419855e-29
  3.93546124e-34 -2.91153489e-51]
energy per atom =  -18.54493340408946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0