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_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_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 15:32:39      -16.645586        3.2347
BFGS:    1 15:32:39      -17.478229        3.7898
BFGS:    2 15:32:39      -17.811606        2.5327
BFGS:    3 15:32:39      -17.963730        1.3467
BFGS:    4 15:32:39      -18.060818        0.3539
BFGS:    5 15:32:39      -18.068553        0.1282
BFGS:    6 15:32:39      -18.069279        0.1476
BFGS:    7 15:32:39      -18.070423        0.1189
BFGS:    8 15:32:39      -18.070938        0.0502
BFGS:    9 15:32:39      -18.071046        0.0071
BFGS:   10 15:32:39      -18.071050        0.0008
BFGS:   11 15:32:39      -18.071050        0.0001
BFGS:   12 15:32:39      -18.071050        0.0000
BFGS:   13 15:32:39      -18.071050        0.0000
BFGS:   14 15:32:39      -18.071050        0.0000
BFGS:   15 15:32:39      -18.071050        0.0000
BFGS:   16 15:32:39      -18.071050        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.955921224277348e-10 eV/Angstrom
Maximum stress component: 4.514962435391184e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.57433992]
 [0.66666666 0.33333334 0.07433992]
 [0.66666666 0.33333334 0.42566008]
 [0.33333333 0.66666667 0.92566008]]
cellpar =  Cell([[3.7097820850290777, 1.5387392635314288e-17, 1.0970131649479048e-36], [-1.8548910425145388, 3.212765528139581, 5.256547321999193e-37], [-1.327620656225427e-36, -3.6457545293791963e-35, 6.653036319724366]])
forces =  [[-6.70656721e-31 -1.05601047e-31 -3.95592122e-10]
 [ 4.87750342e-31 -4.22404187e-31 -3.95592122e-10]
 [ 6.70656721e-31 -3.16803140e-31  3.95592122e-10]
 [-6.54030481e-47  4.22404187e-31  3.95592122e-10]]
stress =  [-1.73677195e-12 -1.73677195e-12  4.51496244e-11  6.72772643e-34
  1.16527640e-33  2.04920083e-28]
energy per atom =  -4.517762597927814
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0