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:
MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001
==== 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 10:54:22      -18.503797         0.490150
BFGS:    1 10:54:22      -18.507661         0.426991
BFGS:    2 10:54:22      -18.519562         0.046173
BFGS:    3 10:54:22      -18.519697         0.041439
BFGS:    4 10:54:22      -18.519835         0.032668
BFGS:    5 10:54:22      -18.519926         0.026139
BFGS:    6 10:54:22      -18.519991         0.015757
BFGS:    7 10:54:22      -18.520000         0.003935
BFGS:    8 10:54:22      -18.520001         0.000225
BFGS:    9 10:54:23      -18.520001         0.000017
BFGS:   10 10:54:23      -18.520001         0.000001
BFGS:   11 10:54:23      -18.520001         0.000000
BFGS:   12 10:54:23      -18.520001         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.25289444032503e-10 eV/Angstrom
Maximum stress component: 4.7623919757390925e-12 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([[3.839166915894936, -3.1500477045507623e-18, 3.6119481513810547e-38], [-1.919583457947468, 3.324816078533769, 1.888182228870521e-36], [-3.992904319987457e-37, 3.6615533529754987e-37, 6.269333320892288]])
forces =  [[-1.26190362e-31  2.18568118e-31 -4.25289444e-10]
 [-2.52380724e-31 -2.46316064e-47 -4.25289444e-10]
 [-1.26190362e-31  2.18568118e-31  4.25289444e-10]
 [-3.15475905e-31  1.09284059e-31  4.25289444e-10]]
stress =  [-1.55323709e-13 -1.55323709e-13 -4.76239198e-12  3.94221416e-34
 -6.82811523e-34  6.30493130e-29]
energy per atom =  -4.630000272628001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0