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_1959MedCutoff_Sr__MO_964297938209_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 15:10:10       -3.418330        0.0950
BFGS:    1 15:10:10       -3.418601        0.0865
BFGS:    2 15:10:10       -3.420006        0.0147
BFGS:    3 15:10:10       -3.420033        0.0187
BFGS:    4 15:10:10       -3.420039        0.0177
BFGS:    5 15:10:10       -3.420079        0.0008
BFGS:    6 15:10:10       -3.420079        0.0001
BFGS:    7 15:10:10       -3.420079        0.0000
BFGS:    8 15:10:11       -3.420079        0.0000
BFGS:    9 15:10:11       -3.420079        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.4420649266530887e-32 eV/Angstrom
Maximum stress component: 4.1459586272811334e-13 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([[4.29990300406355, 7.867591153492791e-19, -2.74156775181663e-39], [-2.149951502031775, 3.7238252353280563, 1.27431998232076e-37], [3.881758920613522e-40, 2.0335113095153224e-36, 7.0196523641850845]])
forces =  [[-8.28131195e-33  2.86873061e-33 -1.44206493e-32]
 [ 5.52087464e-33 -5.73746122e-33  7.21032463e-33]]
stress =  [-3.43407175e-13 -3.43407175e-13 -4.14595863e-13 -3.14357846e-34
 -1.36120940e-34 -6.34616414e-29]
energy per atom =  -1.7100395440421785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0