element(s):
['Si']
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:
['2.6864', '1.708383']
model name:
ThreeBodyCluster_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:53:12        2.121331        16.832224
BFGS:    1 10:53:12        0.085986        14.597226
BFGS:    2 10:53:12       -1.538250        12.364792
BFGS:    3 10:53:12       -2.776718        10.179385
BFGS:    4 10:53:12       -3.666896         8.122685
BFGS:    5 10:53:12       -4.263865         6.306248
BFGS:    6 10:53:12       -4.640643         4.846660
BFGS:    7 10:53:12       -4.879751         3.817096
BFGS:    8 10:53:12       -5.054676         3.198851
BFGS:    9 10:53:12       -5.212267         2.900429
BFGS:   10 10:53:12       -5.372759         2.826225
BFGS:   11 10:53:12       -5.552402         2.973536
BFGS:   12 10:53:13       -5.758132         3.221071
BFGS:   13 10:53:13       -5.984192         3.344470
BFGS:   14 10:53:13       -6.211425         3.048539
BFGS:   15 10:53:13       -6.413106         2.487036
BFGS:   16 10:53:13       -6.570103         2.316658
BFGS:   17 10:53:13       -6.685785         1.845982
BFGS:   18 10:53:13       -6.767108         1.102250
BFGS:   19 10:53:13       -6.805954         0.293807
BFGS:   20 10:53:13       -6.808903         0.001304
BFGS:   21 10:53:13       -6.808903         0.000002
BFGS:   22 10:53:13       -6.808903         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.5585056057820445e-32 eV/Angstrom
Maximum stress component: 9.769507600076945e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7173536541373084, -5.253116200276919e-18, 4.783843387251732e-35], [-1.3586768270686542, 2.3532972955493854, 1.0268898358219816e-34], [6.389496948646725e-36, -5.176943134973245e-35, 6.81075849872033]])
forces =  [[-8.37349244e-33  4.83443811e-33  3.10674005e-48]
 [ 1.55850561e-32 -1.24907946e-32 -6.21348009e-48]]
stress =  [ 9.76950760e-13  9.76950760e-13 -5.74722899e-21  6.66500188e-33
 -1.43291072e-49 -1.74064204e-29]
energy per atom =  -3.404451446112478
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0