element(s):
['Sr']
AFLOW prototype label:
A_tI8_140_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.1402', '0.8704823', '0.66977491']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0.66977491 0.16977491 0.        ]]
spacegroup =  140
cell =  [[8.1402, 0, 0], [0, 8.1402, 0], [0, 0, 7.0859]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:22:48      -11.330869        0.4538
BFGS:    1 17:22:48      -11.340980        0.4470
BFGS:    2 17:22:48      -11.404378        0.3979
BFGS:    3 17:22:48      -11.446525        0.3528
BFGS:    4 17:22:48      -11.472557        0.3487
BFGS:    5 17:22:48      -11.487081        0.3079
BFGS:    6 17:22:48      -11.492725        0.2672
BFGS:    7 17:22:48      -11.495081        0.2462
BFGS:    8 17:22:48      -11.501886        0.1888
BFGS:    9 17:22:48      -11.509927        0.1461
BFGS:   10 17:22:48      -11.517333        0.0941
BFGS:   11 17:22:48      -11.524579        0.0741
BFGS:   12 17:22:48      -11.527363        0.0485
BFGS:   13 17:22:48      -11.527718        0.0400
BFGS:   14 17:22:48      -11.527847        0.0361
BFGS:   15 17:22:48      -11.527946        0.0337
BFGS:   16 17:22:48      -11.528268        0.0382
BFGS:   17 17:22:48      -11.527648        0.0767
BFGS:   18 17:22:48      -11.529251        0.0345
BFGS:   19 17:22:48      -11.529620        0.0229
BFGS:   20 17:22:48      -11.530348        0.0103
BFGS:   21 17:22:48      -11.530588        0.0147
BFGS:   22 17:22:48      -11.530494        0.0189
BFGS:   23 17:22:48      -11.530754        0.0001
BFGS:   24 17:22:48      -11.530754        0.0000
BFGS:   25 17:22:48      -11.530754        0.0000
BFGS:   26 17:22:48      -11.530754        0.0000
BFGS:   27 17:22:48      -11.530754        0.0000
BFGS:   28 17:22:48      -11.530754        0.0000
Minimization converged after 28 steps.
Maximum force component: 1.2247548938326762e-09 eV/Angstrom
Maximum stress component: 3.826788350643833e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr']
basis =  [[6.79590758e-01 1.79590758e-01 0.00000000e+00]
 [3.20409242e-01 8.20409242e-01 2.05107761e-34]
 [8.20409242e-01 6.79590758e-01 4.10215522e-34]
 [1.79590758e-01 3.20409242e-01 0.00000000e+00]
 [3.20409242e-01 1.79590758e-01 5.00000000e-01]
 [6.79590758e-01 8.20409242e-01 5.00000000e-01]
 [1.79590758e-01 6.79590758e-01 5.00000000e-01]
 [8.20409242e-01 3.20409242e-01 5.00000000e-01]]
cellpar =  Cell([[8.122749235462672, -8.515906750616525e-37, -3.3811674366101305e-32], [-1.795988510954449e-36, 8.122749235462672, -1.1603067559459217e-17], [8.182730726911142e-32, -1.0091031329455141e-17, 7.5118754489865225]])
forces =  [[-1.22475489e-09 -1.22475489e-09  1.74954334e-27]
 [ 1.22475489e-09  1.22475489e-09 -1.74952019e-27]
 [ 1.22475489e-09 -1.22475489e-09  1.74952019e-27]
 [-1.22475489e-09  1.22475489e-09 -1.74953176e-27]
 [ 1.22475489e-09 -1.22475489e-09  1.74952019e-27]
 [-1.22475489e-09  1.22475489e-09 -1.74954334e-27]
 [-1.22475489e-09 -1.22475489e-09  1.74953176e-27]
 [ 1.22475489e-09  1.22475489e-09 -1.74952019e-27]]
stress =  [ 3.82678835e-11  3.82678835e-11  3.68125908e-11  1.31983319e-27
 -7.38995021e-44 -4.93710287e-60]
energy per atom =  -1.4413442566521926
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0