element(s):
['Sr']
AFLOW prototype label:
A_hP2_194_c
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:
['4.2616', '1.6451333']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Sr__MO_497591319122_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.2616, 0, 0], [-2.1308, 3.6906538607678, 0], [0, 0, 7.0109]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:53:10       -3.459982         0.078422
BFGS:    1 10:53:10       -3.460158         0.071645
BFGS:    2 10:53:10       -3.461043         0.014744
BFGS:    3 10:53:10       -3.461048         0.015116
BFGS:    4 10:53:10       -3.461057         0.013494
BFGS:    5 10:53:11       -3.461069         0.008536
BFGS:    6 10:53:11       -3.461075         0.002680
BFGS:    7 10:53:11       -3.461077         0.000766
BFGS:    8 10:53:11       -3.461077         0.000089
BFGS:    9 10:53:11       -3.461077         0.000010
BFGS:   10 10:53:11       -3.461077         0.000000
BFGS:   11 10:53:11       -3.461077         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.816309993323405e-33 eV/Angstrom
Maximum stress component: 8.955551576955942e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[4.2915842514564675, 1.2515902388019874e-18, 1.4176732246844962e-37], [-2.1457921257282337, 3.7166209842425255, 5.892807239854181e-38], [1.4041251056273548e-37, 2.220764817369e-37, 7.010377450246046]])
forces =  [[-8.81630999e-33  3.81757421e-33 -1.57898431e-70]
 [-8.81630999e-33  3.81757421e-33 -1.57898431e-70]]
stress =  [-8.95555158e-11 -8.95555158e-11 -1.94198250e-11 -3.94229879e-34
  5.32913780e-48  8.45780559e-27]
energy per atom =  -1.7305385575707226
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0