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 14:40:51      -18.603234         0.567218
BFGS:    1 14:40:51      -18.614903         0.539974
BFGS:    2 14:40:51      -18.785281         0.546719
BFGS:    3 14:40:51      -18.793454         0.354272
BFGS:    4 14:40:51      -18.799213         0.307083
BFGS:    5 14:40:51      -18.816836         0.205748
BFGS:    6 14:40:51      -18.821588         0.236490
BFGS:    7 14:40:51      -18.833854         0.215672
BFGS:    8 14:40:51      -18.841563         0.114583
BFGS:    9 14:40:51      -18.843324         0.028238
BFGS:   10 14:40:51      -18.843420         0.002454
BFGS:   11 14:40:51      -18.843421         0.000470
BFGS:   12 14:40:51      -18.843421         0.000158
BFGS:   13 14:40:51      -18.843421         0.000014
BFGS:   14 14:40:51      -18.843421         0.000003
BFGS:   15 14:40:51      -18.843421         0.000000
BFGS:   16 14:40:51      -18.843421         0.000000
BFGS:   17 14:40:51      -18.843421         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.4324599189111111e-09 eV/Angstrom
Maximum stress component: 7.812903597942333e-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([[3.9024692326777997, -6.030186918665001e-18, 3.907180905101023e-37], [-1.9512346163388998, 3.3796374929861397, -6.120967679436704e-37], [-1.72130471413449e-36, -2.5861976902783962e-36, 5.938437843341445]])
forces =  [[-1.60338824e-32 -8.33144966e-32 -1.43245992e-09]
 [ 6.41355294e-32 -3.33257987e-31 -1.43245992e-09]
 [-3.04643765e-31  1.94400492e-31  1.43245992e-09]
 [-6.41355294e-32  3.33257987e-31  1.43245992e-09]]
stress =  [-1.23902594e-11 -1.23902594e-11 -7.81290360e-11 -1.63774717e-33
 -7.09165327e-34  1.35815119e-28]
energy per atom =  -4.710855246043528
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0