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 16:34:01      -11.330869         0.453751
BFGS:    1 16:34:01      -11.340980         0.447049
BFGS:    2 16:34:01      -11.404378         0.397885
BFGS:    3 16:34:01      -11.446525         0.352805
BFGS:    4 16:34:01      -11.472557         0.348662
BFGS:    5 16:34:01      -11.487081         0.307915
BFGS:    6 16:34:01      -11.492725         0.267205
BFGS:    7 16:34:01      -11.495081         0.246183
BFGS:    8 16:34:01      -11.501886         0.188772
BFGS:    9 16:34:01      -11.509927         0.146064
BFGS:   10 16:34:01      -11.517333         0.094132
BFGS:   11 16:34:01      -11.524579         0.074054
BFGS:   12 16:34:01      -11.527363         0.048481
BFGS:   13 16:34:01      -11.527718         0.040017
BFGS:   14 16:34:01      -11.527847         0.036072
BFGS:   15 16:34:01      -11.527946         0.033676
BFGS:   16 16:34:01      -11.528268         0.038212
BFGS:   17 16:34:01      -11.527648         0.076672
BFGS:   18 16:34:01      -11.529251         0.034488
BFGS:   19 16:34:01      -11.529620         0.022896
BFGS:   20 16:34:01      -11.530348         0.010332
BFGS:   21 16:34:01      -11.530588         0.014707
BFGS:   22 16:34:01      -11.530494         0.018851
BFGS:   23 16:34:01      -11.530754         0.000124
BFGS:   24 16:34:01      -11.530754         0.000044
BFGS:   25 16:34:01      -11.530754         0.000009
BFGS:   26 16:34:01      -11.530754         0.000002
BFGS:   27 16:34:01      -11.530754         0.000000
BFGS:   28 16:34:01      -11.530754         0.000000
Minimization converged after 28 steps.
Maximum force component: 1.2247553472811768e-09 eV/Angstrom
Maximum stress component: 3.8267916834032375e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr']
basis =  [[0.67959076 0.17959076 0.        ]
 [0.32040924 0.82040924 0.        ]
 [0.82040924 0.67959076 0.        ]
 [0.17959076 0.32040924 0.        ]
 [0.32040924 0.17959076 0.5       ]
 [0.67959076 0.82040924 0.5       ]
 [0.17959076 0.67959076 0.5       ]
 [0.82040924 0.32040924 0.5       ]]
cellpar =  Cell([[8.122749235462674, -8.638408996995715e-36, -3.662971276631552e-32], [-2.4817062505655933e-36, 8.122749235462674, -2.805265710190211e-17], [-5.6672238175305705e-33, -2.5167399817493215e-17, 7.511875448986523]])
forces =  [[-1.22475535e-09 -1.22475535e-09  4.22980456e-27]
 [ 1.22475535e-09  1.22475535e-09 -4.22980456e-27]
 [ 1.22475535e-09 -1.22475535e-09  4.22980456e-27]
 [-1.22475535e-09  1.22475535e-09 -4.22980456e-27]
 [ 1.22475535e-09 -1.22475535e-09  4.22980456e-27]
 [-1.22475535e-09  1.22475535e-09 -4.22980456e-27]
 [-1.22475535e-09 -1.22475535e-09  4.22980456e-27]
 [ 1.22475535e-09  1.22475535e-09 -4.22980456e-27]]
stress =  [ 3.82679168e-11  3.82679168e-11  3.68126006e-11  6.01917847e-27
  5.05020542e-35 -5.01393859e-51]
energy per atom =  -1.4413442566521928
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0