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:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_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 14:38:34       -7.303062        14.447397
BFGS:    1 14:38:34       -9.205049        11.031391
BFGS:    2 14:38:34      -10.491223         7.097353
BFGS:    3 14:38:34      -11.094642         3.437329
BFGS:    4 14:38:34      -11.261336         0.585526
BFGS:    5 14:38:34      -11.272911         0.068081
BFGS:    6 14:38:34      -11.272981         0.014410
BFGS:    7 14:38:34      -11.272984         0.006331
BFGS:    8 14:38:34      -11.272987         0.009214
BFGS:    9 14:38:34      -11.272998         0.018001
BFGS:   10 14:38:34      -11.273018         0.026703
BFGS:   11 14:38:34      -11.273050         0.033438
BFGS:   12 14:38:34      -11.273077         0.023887
BFGS:   13 14:38:34      -11.273087         0.007151
BFGS:   14 14:38:34      -11.273088         0.000570
BFGS:   15 14:38:34      -11.273088         0.000131
BFGS:   16 14:38:34      -11.273088         0.000079
BFGS:   17 14:38:34      -11.273088         0.000020
BFGS:   18 14:38:34      -11.273088         0.000002
BFGS:   19 14:38:34      -11.273088         0.000000
BFGS:   20 14:38:34      -11.273088         0.000000
BFGS:   21 14:38:34      -11.273088         0.000000
Minimization converged after 21 steps.
Maximum force component: 5.189626506307832e-12 eV/Angstrom
Maximum stress component: 5.349992650781701e-11 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([[3.6945463401891683, 1.1990901966243855e-17, -5.976920470139588e-37], [-1.8472731700945841, 3.199570986062645, -1.2531306033778103e-35], [5.162183566643132e-37, 1.5482336854353975e-34, 6.033168909921591]])
forces =  [[ 1.51795998e-30 -1.05167353e-31  5.18962651e-12]
 [-6.67902393e-31  9.46506174e-31  5.18962651e-12]
 [-5.00926795e-31  2.62918382e-32 -5.18962651e-12]
 [ 3.03591997e-31 -3.15502058e-31 -5.18962651e-12]]
stress =  [-5.34999265e-11 -5.34999265e-11 -5.00940155e-11 -9.79083659e-33
  7.37314192e-34 -1.31744155e-26]
energy per atom =  -2.818271998652615
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0