element(s):
['Bi']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.97']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Bi']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.97, 0, 0], [0, 3.97, 0], [0, 0, 3.97]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:50:33      -16.980747        14.178513
BFGS:    1 16:50:33      -19.222160        15.696381
BFGS:    2 16:50:33      -21.682087        17.058981
BFGS:    3 16:50:33      -24.321397        18.027807
BFGS:    4 16:50:33      -27.045224        18.089918
BFGS:    5 16:50:33      -29.687104        16.690983
BFGS:    6 16:50:33      -31.898299        12.144964
BFGS:    7 16:50:33      -33.078607         2.462963
BFGS:    8 16:50:33      -33.103758         1.245723
BFGS:    9 16:50:33      -33.111228         0.068109
BFGS:   10 16:50:33      -33.111252         0.001746
BFGS:   11 16:50:33      -33.111252         0.000003
BFGS:   12 16:50:33      -33.111252         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.4838044103125924e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.25803159292431, 3.14261916490219e-33, 7.7121935133111e-33], [-2.641242361546856e-33, 3.2580315929243104, -1.2513383400530894e-16], [-4.5695589953488104e-35, -1.2513383400530891e-16, 3.2580315929243104]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.48380441e-12  4.48380441e-12  4.48380441e-12  2.08762099e-27
 -1.04024849e-33 -3.65001897e-49]
energy per atom =  -16.555625783532978
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0