element(s):
['Ba']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2709', '0.92493385']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ba']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[4.2709, 0, 0], [-2.13545, 3.698707897023, 0], [0, 0, 3.9503]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:29:02      -12.055181        12.947494
BFGS:    1 15:29:02      -12.405346         5.376432
BFGS:    2 15:29:02      -12.455543         2.368835
BFGS:    3 15:29:02      -12.410626         4.210017
BFGS:    4 15:29:02      -12.470547         0.320580
BFGS:    5 15:29:02      -12.470916         0.067091
BFGS:    6 15:29:02      -12.470937         0.002842
BFGS:    7 15:29:02      -12.470937         0.000257
BFGS:    8 15:29:02      -12.470937         0.000004
BFGS:    9 15:29:02      -12.470937         0.000000
BFGS:   10 15:29:02      -12.470937         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.692383909423548e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.153140489483691, -6.20057818008252e-17, 7.783160490993062e-37], [-2.0765702447418457, 3.596725169378617, 9.208977186704302e-37], [1.2181744966508623e-34, -2.1694783415392914e-34, 4.065296321414918]])
forces =  [[0. 0. 0.]]
stress =  [-2.15290254e-11 -2.15290254e-11 -2.69238391e-11  1.76768159e-45
  1.65710856e-45 -3.04145658e-27]
energy per atom =  -12.470936642130003
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0