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:
SNAP_ZuoChenLi_2019quadratic_Si__MO_721469752060_000
==== 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 17:34:03      -59.817155        0.4314
BFGS:    1 17:34:03      -59.825056        0.4234
BFGS:    2 17:34:03      -59.883718        0.3587
BFGS:    3 17:34:03      -59.932638        0.2929
BFGS:    4 17:34:03      -59.970972        0.2179
BFGS:    5 17:34:03      -59.997921        0.1411
BFGS:    6 17:34:03      -60.013220        0.0626
BFGS:    7 17:34:03      -60.016917        0.0010
BFGS:    8 17:34:03      -60.016917        0.0000
BFGS:    9 17:34:03      -60.016917        0.0000
Minimization converged after 9 steps.
Maximum force component: 2.2278341559566484e-30 eV/Angstrom
Maximum stress component: 2.1728997439303298e-11 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 2.23412505e-34 5.00000000e-01]
 [7.50000000e-01 7.48431891e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.58531262e-35]
 [5.00000000e-01 7.50000000e-01 4.46825010e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [1.98430166e-49 2.50000000e-01 5.00000000e-01]
 [7.93720662e-49 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 2.23412505e-34]
 [7.50000000e-01 5.00000000e-01 1.11706252e-34]
 [5.00000000e-01 3.35118757e-33 7.50000000e-01]
 [5.00000000e-01 3.68630633e-33 2.50000000e-01]]
cellpar =  Cell([[6.896408757537934, 1.502418267897616e-32, 1.6675772541314447e-32], [2.908374438929196e-32, 6.896408757537934, -1.0136311702601663e-17], [-1.616880756068663e-32, -1.013631170260175e-17, 6.896408757537934]])
forces =  [[ 1.48758402e-31 -4.42733338e-33  1.25348876e-32]
 [-3.68354137e-31  5.31280005e-33 -7.80873049e-51]
 [ 1.77093335e-32  6.80038407e-31 -2.65640003e-33]
 [-1.97541367e-63 -4.63984538e-31  7.96920008e-33]
 [-2.65640003e-33  1.06256001e-32 -4.74610138e-31]
 [ 7.08373341e-33 -1.37433657e-48  9.35052809e-31]
 [ 3.54186670e-33  2.18178989e-30 -3.20678532e-48]
 [ 1.59384002e-32 -2.22783416e-30  3.27446099e-48]
 [-2.83349336e-31 -3.54186670e-33  3.54186670e-33]
 [ 1.70009602e-31 -1.41674668e-32  7.08373341e-33]
 [-5.17009983e-63  1.06256001e-32  2.22429229e-30]
 [-8.85466676e-34  3.54186670e-33 -2.02594775e-30]]
stress =  [-2.17289974e-11 -2.17289974e-11 -2.17289974e-11 -6.94186288e-29
  5.34874993e-60 -1.64401756e-59]
energy per atom =  -1.8404526686099925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0