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 10:46:58      -16.645586         3.234737
BFGS:    1 10:46:58      -17.478229         3.789810
BFGS:    2 10:46:58      -17.811606         2.532664
BFGS:    3 10:46:59      -17.963730         1.346727
BFGS:    4 10:46:59      -18.060818         0.353949
BFGS:    5 10:46:59      -18.068553         0.128163
BFGS:    6 10:46:59      -18.069279         0.147626
BFGS:    7 10:47:00      -18.070423         0.118898
BFGS:    8 10:47:00      -18.070938         0.050153
BFGS:    9 10:47:00      -18.071046         0.007084
BFGS:   10 10:47:00      -18.071050         0.000798
BFGS:   11 10:47:00      -18.071050         0.000088
BFGS:   12 10:47:01      -18.071050         0.000028
BFGS:   13 10:47:01      -18.071050         0.000003
BFGS:   14 10:47:01      -18.071050         0.000000
BFGS:   15 10:47:01      -18.071050         0.000000
BFGS:   16 10:47:02      -18.071050         0.000000
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