element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:59:21       -7.087917         6.479194
BFGS:    1 15:59:21       -7.736495         3.967023
BFGS:    2 15:59:21       -8.103234         2.033029
BFGS:    3 15:59:21       -8.253753         0.573890
BFGS:    4 15:59:21       -8.267191         0.151451
BFGS:    5 15:59:21       -8.268487         0.195677
BFGS:    6 15:59:21       -8.269646         0.202753
BFGS:    7 15:59:21       -8.271290         0.146216
BFGS:    8 15:59:21       -8.272077         0.052481
BFGS:    9 15:59:21       -8.272204         0.013991
BFGS:   10 15:59:21       -8.272217         0.001674
BFGS:   11 15:59:21       -8.272217         0.000190
BFGS:   12 15:59:21       -8.272217         0.000010
BFGS:   13 15:59:21       -8.272217         0.000000
BFGS:   14 15:59:21       -8.272217         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.867837218068779e-32 eV/Angstrom
Maximum stress component: 4.257953381273865e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.938946482533115, 5.029583594899003e-17, -7.4167459997930825e-37], [-1.4694732412665574, 2.5452023142365956, -9.472243519114354e-36], [9.420617116871306e-35, 2.989376045404411e-36, 4.7694166826387905]])
forces =  [[ 2.86783722e-32 -1.83003570e-32 -1.95958665e-32]
 [-1.50938801e-33  1.30716836e-32  1.95958665e-32]]
stress =  [-4.25795338e-11 -4.25795338e-11  1.28920210e-11 -8.46158337e-35
  1.46558923e-34 -7.02594542e-28]
energy per atom =  -4.1361084803531165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0