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_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_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 16:31:45      -49.573502         1.584649
BFGS:    1 16:31:46      -49.677721         1.484821
BFGS:    2 16:31:46      -49.884284         1.270822
BFGS:    3 16:31:46      -50.059402         1.065514
BFGS:    4 16:31:46      -50.204358         0.868611
BFGS:    5 16:31:46      -50.320392         0.679835
BFGS:    6 16:31:46      -50.408701         0.498915
BFGS:    7 16:31:46      -50.470446         0.325591
BFGS:    8 16:31:47      -50.506745         0.159608
BFGS:    9 16:31:47      -50.518662         0.006696
BFGS:   10 16:31:47      -50.518683         0.000147
BFGS:   11 16:31:47      -50.518683         0.000000
BFGS:   12 16:31:47      -50.518683         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.534493027325039e-29 eV/Angstrom
Maximum stress component: 1.0772413145223003e-13 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 2.76400969e-35 5.00000000e-01]
 [7.50000000e-01 7.33844572e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 6.91002422e-36]
 [5.00000000e-01 7.50000000e-01 2.76400969e-35]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [2.15285362e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 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 3.70377298e-33 7.50000000e-01]
 [5.00000000e-01 3.65540281e-33 2.50000000e-01]]
cellpar =  Cell([[6.96788420466132, 1.656836355127221e-32, -8.68163229897526e-34], [1.454250416988471e-32, 6.96788420466132, 1.2675861883326737e-18], [8.818083593019009e-34, 1.2675861883325714e-18, 6.96788420466132]])
forces =  [[-2.00400209e-30  2.86286013e-32  7.15715031e-32]
 [ 1.14514405e-31  5.20806869e-51  2.86286013e-32]
 [ 2.86286013e-32 -6.52732109e-30 -1.43143006e-32]
 [ 2.86286013e-32  1.11078973e-29 -7.15715031e-32]
 [-2.86286013e-32  1.43143006e-32  7.84423674e-30]
 [-2.86286013e-32 -2.86286013e-32 -1.53449303e-29]
 [-2.86286013e-32  8.24503716e-30 -5.72572025e-32]
 [ 2.86286013e-32 -1.83223048e-30 -5.72572025e-32]
 [-4.86686221e-30 -2.86286013e-32 -2.86286013e-32]
 [-3.89348977e-30 -2.86286013e-32  2.86286013e-32]
 [-5.72572025e-32  4.29429019e-32  3.43543215e-30]
 [-4.29429019e-32 -1.43143006e-32 -3.66446096e-30]]
stress =  [-1.07724131e-13 -1.07724131e-13 -1.07724131e-13 -6.96172374e-33
 -5.74666790e-66  1.04766367e-62]
energy per atom =  -4.209890267771051
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0