element(s):
['U']
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:
['3.7679']
model name:
Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['U']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.7679, 0, 0], [0, 3.7679, 0], [0, 0, 3.7679]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:24:06       -7.778481         1.708491
BFGS:    1 16:24:06       -7.910582         1.785002
BFGS:    2 16:24:06       -8.150573         1.401881
BFGS:    3 16:24:06       -8.296719         0.342995
BFGS:    4 16:24:06       -8.301838         0.125261
BFGS:    5 16:24:06       -8.302682         0.003762
BFGS:    6 16:24:06       -8.302683         0.000053
BFGS:    7 16:24:06       -8.302683         0.000000
BFGS:    8 16:24:07       -8.302683         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.317647621513714e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5114223530562043, 3.798256960690975e-33, 1.3003608872113366e-32], [1.7690272654505437e-33, 3.5114223530562043, 1.6255839491925877e-18], [-3.3261299774835996e-33, 1.625583949192602e-18, 3.5114223530562043]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.31764762e-14 -4.31764762e-14 -4.31764762e-14  2.34793079e-29
  6.76856251e-35 -1.84066554e-50]
energy per atom =  -4.151341292694531
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0