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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 14:12:16       -1.643259         1.133420
BFGS:    1 14:12:16       -1.697790         1.143494
BFGS:    2 14:12:16       -1.866338         1.134874
BFGS:    3 14:12:16       -2.025758         1.035618
BFGS:    4 14:12:16       -2.156607         0.768058
BFGS:    5 14:12:16       -2.227160         0.226649
BFGS:    6 14:12:16       -2.229597         0.108910
BFGS:    7 14:12:16       -2.230236         0.044856
BFGS:    8 14:12:16       -2.230272         0.036517
BFGS:    9 14:12:16       -2.230372         0.003625
BFGS:   10 14:12:16       -2.230373         0.000565
BFGS:   11 14:12:16       -2.230373         0.000003
BFGS:   12 14:12:16       -2.230373         0.000000
BFGS:   13 14:12:16       -2.230373         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.9764480128965085e-34 eV/Angstrom
Maximum stress component: 1.2578707208021937e-12 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([[3.793001798798871, -1.4837305454524582e-17, -1.366127400341891e-37], [-1.8965008993994354, 3.2848359143598933, 5.104537376523813e-36], [7.74656349569827e-36, -3.6242817010018456e-35, 6.1940695576468805]])
forces =  [[ 2.48655643e-70 -1.16335211e-69  1.98822401e-34]
 [ 4.97311287e-70 -2.32670422e-69  3.97644801e-34]]
stress =  [ 1.25787072e-12  1.25787072e-12 -6.95958092e-14  7.57252497e-35
 -5.25867607e-49 -2.40351421e-28]
energy per atom =  -1.1151866823622898
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0