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 15:31:14      -48.433063         1.343041
BFGS:    1 15:31:14      -48.508276         1.270549
BFGS:    2 15:31:14      -48.684996         1.087005
BFGS:    3 15:31:14      -48.834755         0.911018
BFGS:    4 15:31:14      -48.958666         0.742331
BFGS:    5 15:31:14      -49.057807         0.580696
BFGS:    6 15:31:14      -49.133216         0.425874
BFGS:    7 15:31:14      -49.185898         0.277631
BFGS:    8 15:31:14      -49.216823         0.135741
BFGS:    9 15:31:14      -49.226908         0.005745
BFGS:   10 15:31:14      -49.226927         0.000127
BFGS:   11 15:31:14      -49.226927         0.000000
BFGS:   12 15:31:14      -49.226927         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.3771719165753425e-30 eV/Angstrom
Maximum stress component: 9.627447636231267e-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 8.84745795e-34 5.00000000e-01]
 [7.50000000e-01 7.52033925e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 2.21186449e-34]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.86465749e-37 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [2.82118644e-37 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 4.42372897e-34]
 [5.00000000e-01 3.53898318e-33 7.50000000e-01]
 [5.00000000e-01 3.76016963e-33 2.50000000e-01]]
cellpar =  Cell([[6.9658153336200455, -3.3793296761025066e-32, -1.7470275914806942e-32], [-4.1001758275872244e-32, 6.9658153336200455, 2.8050547382746625e-17], [7.110898905218777e-33, 2.805054738274651e-17, 6.9658153336200455]])
forces =  [[-3.97103901e-31  2.88124742e-50  7.15502525e-33]
 [ 4.57921616e-31  1.15249897e-49  2.86201010e-32]
 [-1.43100505e-32 -1.48824525e-30  2.14650757e-32]
 [ 1.43100505e-32  1.45247013e-30  3.57751262e-33]
 [ 2.14650757e-32  1.43100505e-32  1.43100505e-31]
 [ 7.15502525e-33  2.86201010e-32 -8.01362828e-31]
 [ 2.86201010e-32  3.37717192e-30  1.43100505e-32]
 [-1.78875631e-32 -2.22521285e-30  1.43100505e-32]
 [ 4.22146490e-31  1.58468608e-49  3.93526389e-32]
 [ 5.72402020e-32 -2.77689695e-64 -1.43558517e-64]
 [ 1.43100505e-32  1.03724907e-47  2.57580909e-30]
 [ 7.15502525e-33  4.29301515e-32 -3.07666086e-30]]
stress =  [-9.62744764e-14 -9.62744764e-14 -9.62744764e-14  3.17441511e-30
  4.23375083e-35 -1.33910303e-51]
energy per atom =  -4.1022439216180935
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0