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 15:31:30      -59.817155         0.431376
BFGS:    1 15:31:30      -59.825056         0.423407
BFGS:    2 15:31:30      -59.883718         0.358706
BFGS:    3 15:31:30      -59.932638         0.292875
BFGS:    4 15:31:30      -59.970972         0.217920
BFGS:    5 15:31:30      -59.997921         0.141103
BFGS:    6 15:31:30      -60.013220         0.062632
BFGS:    7 15:31:30      -60.016917         0.001015
BFGS:    8 15:31:30      -60.016917         0.000006
BFGS:    9 15:31:30      -60.016917         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.79333923852078e-30 eV/Angstrom
Maximum stress component: 2.1728906273628252e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.14920016e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.58531262e-35]
 [5.00000000e-01 7.50000000e-01 2.23412505e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [1.43493068e-42 5.00000000e-01 7.50000000e-01]
 [6.21802890e-42 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 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 3.57460008e-33 2.50000000e-01]]
cellpar =  Cell([[6.896408757537935, 1.5297786950879438e-32, 1.666523422742206e-32], [2.990384491674107e-32, 6.896408757537935, -1.0136322160134982e-17], [-1.7246350270730515e-32, -1.0136322160135068e-17, 6.896408757537935]])
forces =  [[-1.48758402e-31 -8.85466676e-33  1.06256001e-32]
 [ 1.55842135e-31  8.63330009e-33 -3.54186670e-33]
 [ 7.08373341e-33 -1.58675628e-30 -1.41674668e-32]
 [ 4.39432380e-63  1.01341661e-30 -1.48951688e-48]
 [-1.50529335e-32  7.08373341e-33  8.25254942e-31]
 [ 1.77093335e-33  1.49927780e-48 -1.02005761e-30]
 [ 2.65640003e-33  3.40019203e-30 -4.99759267e-48]
 [ 1.15110668e-32 -3.45509097e-30 -1.41674668e-32]
 [ 3.15226137e-31  7.08373341e-33 -2.65640003e-33]
 [ 5.66698672e-32 -7.08373341e-33  1.50529335e-32]
 [-1.41674668e-32  9.74013343e-33  3.48519684e-30]
 [ 9.48627895e-63  5.57543932e-48 -3.79333924e-30]]
stress =  [-2.17289063e-11 -2.17289063e-11 -2.17289063e-11  9.94232812e-29
  4.31939797e-35 -1.68179486e-54]
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