element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:46      -48.433063        1.3430
BFGS:    1 17:33:46      -48.508276        1.2705
BFGS:    2 17:33:46      -48.684996        1.0870
BFGS:    3 17:33:46      -48.834755        0.9110
BFGS:    4 17:33:46      -48.958666        0.7423
BFGS:    5 17:33:46      -49.057807        0.5807
BFGS:    6 17:33:46      -49.133216        0.4259
BFGS:    7 17:33:46      -49.185898        0.2776
BFGS:    8 17:33:46      -49.216823        0.1357
BFGS:    9 17:33:46      -49.226908        0.0057
BFGS:   10 17:33:46      -49.226927        0.0001
BFGS:   11 17:33:46      -49.226927        0.0000
BFGS:   12 17:33:46      -49.226927        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.518568886937543e-30 eV/Angstrom
Maximum stress component: 9.628881950767525e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 2.21186449e-34 5.00000000e-01]
 [7.50000000e-01 7.52033925e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 8.84745795e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [9.58753014e-37 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.42372897e-33 7.50000000e-01]
 [5.00000000e-01 3.64957640e-33 2.50000000e-01]]
cellpar =  Cell([[6.965815333620045, -2.4130992067722716e-32, -1.173269743649383e-31], [-3.644923687736732e-32, 6.965815333620045, -2.0930113302572824e-17], [6.988585557565984e-33, -2.0930113302573064e-17, 6.965815333620045]])
forces =  [[ 4.43611565e-31  5.37465759e-50 -1.78875631e-32]
 [ 2.57580909e-31 -4.29972607e-50  1.43100505e-32]
 [-1.78875631e-32  1.11618394e-30  2.86201010e-32]
 [ 1.43100505e-32 -8.60391786e-31 -2.86201010e-32]
 [-1.01624033e-63 -1.43100505e-32 -1.08756384e-30]
 [ 1.20787610e-63  1.60988068e-32  1.28790454e-30]
 [ 1.43100505e-32  1.83168646e-30 -7.15502525e-33]
 [-1.43100505e-32 -2.34416515e-30  7.15502525e-33]
 [ 2.14650757e-32 -4.29972607e-50  1.43100505e-32]
 [-4.57921616e-31  3.57751262e-33 -1.43100505e-32]
 [ 3.57751262e-33 -1.43100505e-32  2.51856889e-30]
 [-4.47189078e-34  1.43100505e-32 -1.91754677e-30]]
stress =  [-9.62888195e-14 -9.62888195e-14 -9.62888195e-14  2.00903096e-29
 -3.38700067e-34 -4.12408337e-50]
energy per atom =  -4.102243921618098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0