element(s):
['As']
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:
['2.7336']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['As']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[2.7336, 0, 0], [0, 2.7336, 0], [0, 0, 2.7336]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:41:56      -11.677391        19.167065
BFGS:    1 10:41:56      -14.838395        22.756281
BFGS:    2 10:41:56      -18.359547        23.198573
BFGS:    3 10:41:56      -21.258992        12.402218
BFGS:    4 10:41:56      -20.441350        32.442929
BFGS:    5 10:41:56      -21.628926         4.970519
BFGS:    6 10:41:56      -21.677358         1.680330
BFGS:    7 10:41:56      -21.683217         0.061210
BFGS:    8 10:41:56      -21.683224         0.010583
BFGS:    9 10:41:56      -21.683224         0.000011
BFGS:   10 10:41:56      -21.683224         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3083926317267572e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2656983619052995, 7.368239945720715e-33, 4.971511195055791e-33], [1.139592061807806e-32, 2.2656983619052995, -1.0227940860050234e-17], [-5.5104185064049924e-33, -1.0227940860050226e-17, 2.2656983619053]])
forces =  [[0. 0. 0.]]
stress =  [ 1.30839263e-10  1.30839263e-10  1.30839263e-10 -2.68711813e-27
  5.00236113e-35 -9.40707530e-52]
energy per atom =  -21.683224212536935
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0