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:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_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 15:32:18      -46.154149         0.542814
BFGS:    1 15:32:18      -46.166514         0.520177
BFGS:    2 15:32:18      -46.232965         0.363119
BFGS:    3 15:32:18      -46.274885         0.194549
BFGS:    4 15:32:18      -46.291067         0.020585
BFGS:    5 15:32:18      -46.291247         0.000226
BFGS:    6 15:32:18      -46.291247         0.000000
BFGS:    7 15:32:18      -46.291247         0.000000
Minimization converged after 7 steps.
Maximum force component: 2.5299474340041974e-30 eV/Angstrom
Maximum stress component: 9.603427284459964e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.31042544e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.83670992e-40 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 3.77125122e-33 7.50000000e-01]
 [5.00000000e-01 3.62620309e-33 2.50000000e-01]]
cellpar =  Cell([[6.638934356724179, 2.675128054499922e-33, -1.345250507534139e-32], [-1.9714444965664077e-33, 6.638934356724179, -3.65150714667191e-18], [-5.25539240027816e-33, -3.651507146672003e-18, 6.638934356724179]])
forces =  [[-1.77300898e-31  3.98510994e-51 -7.24546940e-33]
 [ 2.72770613e-31  1.31274210e-50 -2.38674286e-32]
 [-8.52408165e-33  1.14563657e-30 -6.30116207e-49]
 [-3.92107756e-32 -1.00584163e-30  5.53227027e-49]
 [ 5.20246695e-64 -6.81926532e-33 -6.54649471e-31]
 [-1.36385306e-32 -2.38674286e-32  1.09108245e-30]
 [-2.72770613e-32  2.23671903e-30 -5.11444899e-33]
 [-2.72770613e-32 -2.52994743e-30  1.39150662e-48]
 [ 8.86504492e-32 -6.81926532e-33 -2.72770613e-32]
 [ 1.09108245e-31  4.39646654e-65 -2.21086569e-64]
 [-1.38192454e-63 -9.60177078e-49  1.74573192e-30]
 [-1.76874694e-32 -2.72770613e-32 -2.10033372e-30]]
stress =  [9.60342728e-14 9.60342728e-14 9.60342728e-14 8.80130974e-29
 9.32185742e-35 4.24938271e-50]
energy per atom =  -3.8576039552361068
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0