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_KP_KaxirasPandey_1988_Si__MO_072486242437_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 15:34:01      -18.603234        0.5672
BFGS:    1 15:34:01      -18.614903        0.5400
BFGS:    2 15:34:01      -18.785281        0.5467
BFGS:    3 15:34:01      -18.793454        0.3543
BFGS:    4 15:34:01      -18.799213        0.3071
BFGS:    5 15:34:01      -18.816836        0.2057
BFGS:    6 15:34:01      -18.821588        0.2365
BFGS:    7 15:34:01      -18.833854        0.2157
BFGS:    8 15:34:01      -18.841563        0.1146
BFGS:    9 15:34:01      -18.843324        0.0282
BFGS:   10 15:34:01      -18.843420        0.0025
BFGS:   11 15:34:01      -18.843421        0.0005
BFGS:   12 15:34:01      -18.843421        0.0002
BFGS:   13 15:34:02      -18.843421        0.0000
BFGS:   14 15:34:02      -18.843421        0.0000
BFGS:   15 15:34:02      -18.843421        0.0000
BFGS:   16 15:34:02      -18.843421        0.0000
BFGS:   17 15:34:02      -18.843421        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.432459986999007e-09 eV/Angstrom
Maximum stress component: 7.812901329914454e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.55270656]
 [0.66666666 0.33333334 0.05270656]
 [0.66666666 0.33333334 0.44729344]
 [0.33333333 0.66666667 0.94729344]]
cellpar =  Cell([[3.902469232677799, -5.762139000509055e-18, 2.1860053339987916e-36], [-1.9512346163388996, 3.3796374929861397, 5.3497745094673554e-36], [1.3002182709105996e-35, -3.171480325248826e-37, 5.938437843341445]])
forces =  [[-3.04643765e-31  2.77714989e-32 -1.43245999e-09]
 [ 4.81016471e-32 -8.33144966e-32 -1.43245999e-09]
 [ 4.81016471e-32 -2.77714989e-32  1.43245999e-09]
 [-1.44304941e-31  2.49943490e-31  1.43245999e-09]]
stress =  [-1.23901555e-11 -1.23901555e-11 -7.81290133e-11  2.04718396e-34
  3.54582663e-34 -4.96404447e-27]
energy per atom =  -4.710855246043525
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0