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:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== 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 15:31:34      -18.497339        0.9705
BFGS:    1 15:31:34      -18.471189        1.9797
BFGS:    2 15:31:34      -18.510613        0.3395
BFGS:    3 15:31:34      -18.512610        0.2939
BFGS:    4 15:31:34      -18.519375        0.0429
BFGS:    5 15:31:34      -18.519469        0.0405
BFGS:    6 15:31:34      -18.519717        0.0605
BFGS:    7 15:31:34      -18.519915        0.0518
BFGS:    8 15:31:34      -18.519991        0.0187
BFGS:    9 15:31:34      -18.519999        0.0028
BFGS:   10 15:31:34      -18.520000        0.0001
BFGS:   11 15:31:34      -18.520000        0.0000
BFGS:   12 15:31:34      -18.520000        0.0000
BFGS:   13 15:31:34      -18.520000        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.2531191901673546e-09 eV/Angstrom
Maximum stress component: 2.0372840487099183e-10 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([[3.8395898110323397, 1.2993924590308737e-18, -1.5988491385147817e-37], [-1.9197949055161698, 3.3251823164658987, -7.908805539682511e-37], [1.0176602056599678e-36, -8.01655238920248e-36, 6.270023906042412]])
forces =  [[-2.01926820e-30  1.74873755e-30 -4.25311919e-09]
 [-2.01926820e-30  1.74873755e-30 -4.25311919e-09]
 [ 2.01926820e-30  1.74873755e-30  4.25311919e-09]
 [-1.00963410e-30 -5.43817626e-45  4.25311919e-09]]
stress =  [-3.72459703e-11 -3.72459703e-11 -2.03728405e-10 -2.75894207e-33
  6.14395008e-33  2.20089782e-26]
energy per atom =  -4.629999933956426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0