element(s):
['Rb']
AFLOW prototype label:
A_tI4_141_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:
['4.6857', '3.615511']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.6857, 0, 0], [0, 4.6857, 0], [0, 0, 16.9412]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:09       -2.910253         0.120844
BFGS:    1 16:23:09       -2.910594         0.119142
BFGS:    2 16:23:09       -2.918536         0.083408
BFGS:    3 16:23:09       -2.924029         0.040262
BFGS:    4 16:23:09       -2.926561         0.011912
BFGS:    5 16:23:09       -2.926693         0.006877
BFGS:    6 16:23:09       -2.926696         0.005399
BFGS:    7 16:23:09       -2.926698         0.004984
BFGS:    8 16:23:09       -2.926707         0.005109
BFGS:    9 16:23:09       -2.926719         0.004703
BFGS:   10 16:23:09       -2.926737         0.002959
BFGS:   11 16:23:09       -2.926746         0.001376
BFGS:   12 16:23:09       -2.926748         0.000432
BFGS:   13 16:23:09       -2.926748         0.000046
BFGS:   14 16:23:09       -2.926748         0.000003
BFGS:   15 16:23:09       -2.926748         0.000000
BFGS:   16 16:23:09       -2.926748         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.391018717953103e-33 eV/Angstrom
Maximum stress component: 2.864318150428464e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[1.06207095e-33 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.52826691e-32 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.803717244505891, 1.0622409435585024e-37, -6.380427888308776e-40], [7.926521258887992e-38, 4.80371724450589, 3.833487333473222e-18], [-2.144881733538256e-38, 1.4101680198113415e-17, 17.607175836460694]])
forces =  [[ 1.43118044e-71  8.67339646e-34  6.92158879e-52]
 [ 4.62581144e-34  1.15645286e-34  9.22878506e-53]
 [-8.67339646e-34  2.31290572e-33  3.39101872e-33]
 [-8.52883985e-34  1.85032458e-33  3.39101872e-33]]
stress =  [ 5.08271614e-12  5.08271614e-12  2.86431815e-11 -2.89788455e-27
 -9.10821638e-36  1.01121515e-51]
energy per atom =  -0.7316870579283478
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0