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 15:46:52      -49.573502         1.584649
BFGS:    1 15:46:52      -49.677721         1.484821
BFGS:    2 15:46:52      -49.884284         1.270822
BFGS:    3 15:46:52      -50.059402         1.065514
BFGS:    4 15:46:52      -50.204358         0.868611
BFGS:    5 15:46:52      -50.320392         0.679835
BFGS:    6 15:46:52      -50.408701         0.498915
BFGS:    7 15:46:52      -50.470446         0.325591
BFGS:    8 15:46:52      -50.506745         0.159608
BFGS:    9 15:46:52      -50.518662         0.006696
BFGS:   10 15:46:52      -50.518683         0.000147
BFGS:   11 15:46:52      -50.518683         0.000000
BFGS:   12 15:46:52      -50.518683         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.9928280590575913e-29 eV/Angstrom
Maximum stress component: 1.0706289532094729e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.29698558e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 6.63362325e-34]
 [4.80728211e-37 5.00000000e-01 2.50000000e-01]
 [1.78773099e-38 5.00000000e-01 7.50000000e-01]
 [3.98394627e-36 2.50000000e-01 5.00000000e-01]
 [8.46233485e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 1.10560388e-34]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.86465705e-33 7.50000000e-01]
 [5.00000000e-01 3.81433337e-33 2.50000000e-01]]
cellpar =  Cell([[6.967884204661322, 6.473534168556748e-32, -1.017129897843659e-32], [1.5704986246430824e-32, 6.967884204661322, 1.0097149771307928e-17], [-1.0615866615775957e-32, 1.0097149771307783e-17, 6.967884204661322]])
forces =  [[-3.43543215e-30 -3.19169877e-62  5.01483757e-63]
 [ 1.83223048e-30  4.14856599e-50  2.86286013e-32]
 [-1.12533868e-61 -4.99282806e-29 -7.23509909e-47]
 [ 2.86286013e-32  4.00800418e-29  5.80799239e-47]
 [-5.56551468e-62  5.29357021e-47  3.65300952e-29]
 [ 7.12472846e-62  2.86286013e-32 -4.67218772e-29]
 [-2.86286013e-32  1.64900743e-29 -2.86286013e-32]
 [-3.51459243e-62 -1.55739591e-29  2.86286013e-32]
 [ 4.92411942e-30 -2.86286013e-32 -2.86286013e-32]
 [-2.29028810e-30  2.86286013e-32  4.14856599e-50]
 [ 2.86286013e-32  2.29000843e-47  1.58029879e-29]
 [-2.86286013e-32 -1.43143006e-32 -6.41280668e-30]]
stress =  [-1.07062895e-13 -1.07062895e-13 -1.07062895e-13 -1.58483769e-29
 -8.46247416e-35 -1.38177509e-50]
energy per atom =  -4.209890267771053
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0