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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
==== 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 15:46:20      -49.713767         2.351246
BFGS:    1 15:46:20      -49.939929         2.139007
BFGS:    2 15:46:20      -50.238052         1.839095
BFGS:    3 15:46:21      -50.492568         1.557392
BFGS:    4 15:46:21      -50.706129         1.292874
BFGS:    5 15:46:21      -50.881241         1.044574
BFGS:    6 15:46:21      -51.020266         0.811575
BFGS:    7 15:46:21      -51.125435         0.593013
BFGS:    8 15:46:21      -51.198851         0.388070
BFGS:    9 15:46:21      -51.242498         0.195970
BFGS:   10 15:46:21      -51.258248         0.015983
BFGS:   11 15:46:21      -51.258358         0.000562
BFGS:   12 15:46:21      -51.258358         0.000002
BFGS:   13 15:46:21      -51.258358         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.175702628280245e-29 eV/Angstrom
Maximum stress component: 6.525874359937731e-12 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 7.03885332e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 2.19964166e-34]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.57825094e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [3.84778484e-36 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 7.03885332e-33 7.50000000e-01]
 [5.00000000e-01 3.51942666e-33 2.50000000e-01]]
cellpar =  Cell([[7.004522521035146, -1.082162242184273e-32, 7.973354058553333e-32], [1.1992715755573274e-32, 7.004522521035146, -4.0475238332238414e-17], [-3.1354065162834206e-32, -4.0475238332238414e-17, 7.004522521035146]])
forces =  [[ 4.60466165e-30 -6.65194441e-49  1.15116541e-31]
 [-1.51953834e-29  3.32597220e-49 -5.75582706e-32]
 [ 1.15116541e-31  8.74885713e-30 -5.05547775e-47]
 [-5.75582706e-32 -5.18024435e-30  2.99337498e-47]
 [-7.01698672e-63  1.15116541e-31  1.61163158e-30]
 [-2.07102113e-62 -5.75582706e-32  4.60466165e-30]
 [-5.75582706e-32  5.98606014e-30 -5.75582706e-32]
 [ 1.15116541e-31  2.17570263e-29  5.75582706e-32]
 [ 1.49651504e-29 -5.75582706e-32 -5.75582706e-32]
 [ 3.22326315e-30  5.75582706e-32  1.15116541e-31]
 [ 5.75582706e-32  1.15116541e-31  1.51953834e-29]
 [-5.75582706e-32 -5.75582706e-32  7.59769172e-30]]
stress =  [-6.52587436e-12 -6.52587436e-12 -6.52587436e-12  1.44726296e-27
 -1.67483539e-34  3.79278166e-50]
energy per atom =  -4.271529842255986
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0