element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
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 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:34:02      -21.068368        0.2930
BFGS:    1 15:34:02      -21.070549        0.2479
BFGS:    2 15:34:02      -21.075827        0.0996
BFGS:    3 15:34:02      -21.076563        0.0865
BFGS:    4 15:34:02      -21.077477        0.0156
BFGS:    5 15:34:02      -21.077503        0.0205
BFGS:    6 15:34:02      -21.077541        0.0277
BFGS:    7 15:34:02      -21.077617        0.0346
BFGS:    8 15:34:02      -21.077756        0.0368
BFGS:    9 15:34:02      -21.077903        0.0266
BFGS:   10 15:34:02      -21.077972        0.0118
BFGS:   11 15:34:02      -21.077984        0.0021
BFGS:   12 15:34:02      -21.077985        0.0001
BFGS:   13 15:34:02      -21.077985        0.0000
BFGS:   14 15:34:02      -21.077985        0.0000
BFGS:   15 15:34:02      -21.077985        0.0000
Minimization converged after 15 steps.
Maximum force component: 7.892986819690863e-09 eV/Angstrom
Maximum stress component: 2.0147973796023363e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.8395928898546443, -8.892732021847752e-19, -6.0333632403883025e-37], [-1.9197964449273222, 3.3251849828042257, 4.78094504737633e-37], [-1.0707847896395223e-36, 4.192519229315744e-36, 6.2700289379395535]])
forces =  [[-3.15510909e-31  2.18592370e-31 -7.89298682e-09]
 [ 1.26204363e-31 -5.27775591e-45 -7.89298682e-09]
 [ 3.15510909e-31 -2.18592370e-31  7.89298682e-09]
 [-1.26204363e-31  5.27775591e-45  7.89298682e-09]]
stress =  [-3.84844189e-11 -3.84844189e-11 -2.01479738e-10  9.85334873e-34
  3.41330012e-34 -1.11883673e-26]
energy per atom =  -5.269496210193664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0