element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:40:48      -35.385268         2.245011
BFGS:    1 20:40:49      -35.281294         3.098647
BFGS:    2 20:40:49      -35.482792         1.074699
BFGS:    3 20:40:49      -35.516200         1.100282
BFGS:    4 20:40:50      -35.574071         0.916635
BFGS:    5 20:40:50      -35.613710         0.666473
BFGS:    6 20:40:50      -35.637127         0.402111
BFGS:    7 20:40:51      -35.646218         0.154270
BFGS:    8 20:40:51      -35.647246         0.155631
BFGS:    9 20:40:51      -35.650286         0.136927
BFGS:   10 20:40:51      -35.654465         0.205983
BFGS:   11 20:40:52      -35.660019         0.265603
BFGS:   12 20:40:52      -35.663814         0.189611
BFGS:   13 20:40:53      -35.665068         0.052647
BFGS:   14 20:40:53      -35.665159         0.006215
BFGS:   15 20:40:53      -35.665162         0.000802
BFGS:   16 20:40:54      -35.665162         0.000177
BFGS:   17 20:40:54      -35.665162         0.000015
BFGS:   18 20:40:55      -35.665162         0.000002
BFGS:   19 20:40:55      -35.665162         0.000000
BFGS:   20 20:40:55      -35.665162         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.5063939812497453e-10 eV/Angstrom
Maximum stress component: 1.1124517702978144e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19501751e-01 8.19501751e-01 0.00000000e+00]
 [1.80498249e-01 1.80498249e-01 1.91026512e-34]
 [1.80498249e-01 8.19501751e-01 0.00000000e+00]
 [8.19501751e-01 1.80498249e-01 7.64106046e-34]
 [3.19501751e-01 3.19501751e-01 5.00000000e-01]
 [6.80498249e-01 6.80498249e-01 5.00000000e-01]
 [6.80498249e-01 3.19501751e-01 5.00000000e-01]
 [3.19501751e-01 6.80498249e-01 5.00000000e-01]]
cellpar =  Cell([[6.686883497528062, 1.11077609460721e-34, 8.054903271235247e-33], [1.051279931389538e-34, 6.686883497528061, 2.2974460215616875e-17], [4.9626048022892256e-33, 1.2968311713223424e-17, 4.032801370679624]])
forces =  [[ 2.50639398e-10  2.50639398e-10  8.61159175e-28]
 [-2.50639398e-10 -2.50639398e-10 -8.61109467e-28]
 [-2.50639398e-10  2.50639398e-10  8.61134321e-28]
 [ 2.50639398e-10 -2.50639398e-10 -8.61146748e-28]
 [ 2.50639398e-10  2.50639398e-10  8.61146748e-28]
 [-2.50639398e-10 -2.50639398e-10 -8.61084613e-28]
 [-2.50639398e-10  2.50639398e-10  8.61134321e-28]
 [ 2.50639398e-10 -2.50639398e-10 -8.61134321e-28]]
stress =  [ 3.25519980e-11  3.25519980e-11  1.11245177e-10 -3.61399822e-27
 -1.37123259e-33  1.39970396e-62]
energy per atom =  -4.458145215420632
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0