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:
MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001
==== 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 12:57:19        1.479938        51.407483
BFGS:    1 12:57:19       -4.240180        31.813362
BFGS:    2 12:57:19       -7.514899        16.224315
BFGS:    3 12:57:19       -8.880578         5.065131
BFGS:    4 12:57:19       -9.065356         1.014836
BFGS:    5 12:57:19       -9.073662         0.120131
BFGS:    6 12:57:19       -9.073929         0.107885
BFGS:    7 12:57:19       -9.074210         0.148119
BFGS:    8 12:57:19       -9.074512         0.118141
BFGS:    9 12:57:20       -9.074619         0.043446
BFGS:   10 12:57:20       -9.074633         0.007156
BFGS:   11 12:57:20       -9.074634         0.000283
BFGS:   12 12:57:20       -9.074634         0.000036
BFGS:   13 12:57:20       -9.074634         0.000001
BFGS:   14 12:57:20       -9.074634         0.000000
BFGS:   15 12:57:20       -9.074634         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.0116647684969426e-32 eV/Angstrom
Maximum stress component: 1.4318893993296446e-11 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([[2.93551052160754, -2.2239318860240126e-17, -1.6247477277991277e-37], [-1.46775526080377, 2.5422266847886377, -2.968016473541106e-35], [-1.3153232379010603e-36, 1.5820585391037748e-34, 4.881973681631607]])
forces =  [[-1.08084071e-68  1.30002514e-66  4.01166477e-32]
 [-7.53811682e-33  1.30564013e-32 -4.01166477e-32]]
stress =  [-1.43188940e-11 -1.43188940e-11 -1.09755778e-11 -6.62093758e-33
 -4.58712011e-33  2.90920514e-27]
energy per atom =  -4.537316843423901
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0