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 16:10:46      -19.514704        17.662630
BFGS:    1 16:10:46      -22.350343        20.185744
BFGS:    2 16:10:46      -25.585543        23.032970
BFGS:    3 16:10:46      -29.254174        25.884733
BFGS:    4 16:10:46      -33.345051        28.611782
BFGS:    5 16:10:46      -37.811713        30.833062
BFGS:    6 16:10:46      -42.524404        31.690999
BFGS:    7 16:10:46      -47.206980        30.189593
BFGS:    8 16:10:46      -51.305326        23.328573
BFGS:    9 16:10:46      -53.753710         7.300456
BFGS:   10 16:10:46      -53.856280         4.936280
BFGS:   11 16:10:46      -53.916354         0.464680
BFGS:   12 16:10:46      -53.916937         0.026078
BFGS:   13 16:10:46      -53.916939         0.000150
BFGS:   14 16:10:46      -53.916939         0.000000
BFGS:   15 16:10:46      -53.916939         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9663034901890336e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6416512444637994, -9.547736015578535e-33, 3.2044238488853665e-33], [-1.6469244296231115e-32, 2.6416512444637994, 3.87904535984041e-17], [1.9582352043959052e-32, 3.8790453598404084e-17, 2.6416512444637994]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.96630349e-15 -4.96630349e-15 -4.96630349e-15  1.27011556e-30
 -5.88773485e-34  1.91453675e-50]
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