element(s):
['Se']
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:
['3.4406']
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 =  229
cell =  [[3.4406, 0, 0], [0, 3.4406, 0], [0, 0, 3.4406]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:22:12      -19.514704        17.662630
BFGS:    1 16:22:12      -22.350343        20.185744
BFGS:    2 16:22:12      -25.585543        23.032970
BFGS:    3 16:22:12      -29.254174        25.884733
BFGS:    4 16:22:12      -33.345051        28.611782
BFGS:    5 16:22:12      -37.811713        30.833062
BFGS:    6 16:22:12      -42.524404        31.690999
BFGS:    7 16:22:12      -47.206980        30.189593
BFGS:    8 16:22:12      -51.305326        23.328573
BFGS:    9 16:22:12      -53.753710         7.300456
BFGS:   10 16:22:12      -53.856280         4.936280
BFGS:   11 16:22:12      -53.916354         0.464680
BFGS:   12 16:22:12      -53.916937         0.026078
BFGS:   13 16:22:12      -53.916939         0.000150
BFGS:   14 16:22:12      -53.916939         0.000000
BFGS:   15 16:22:12      -53.916939         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6152361930674787e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6416512444638, 5.6810687903091194e-33, 4.424479421713766e-34], [-9.608961196259215e-33, 2.6416512444637994, 1.805152185375916e-17], [-1.3533708384003708e-33, 1.8051521853759143e-17, 2.6416512444637994]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.61523619e-15 -2.61523619e-15 -2.61523619e-15  9.56906800e-32
  2.35509394e-33  1.03094453e-49]
energy per atom =  -26.95846951576078
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0