element(s):
['Cu', 'Mg', 'Si']
AFLOW prototype label:
A3B2C_hP12_194_h_f_a
Parameter names:
['a', 'c/a', 'z2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0278', '1.5730936', '0.56087554', '0.16836807']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Mg', 'Si']
representative atom coordinates =  [[0.16836807 0.33673614 0.25      ]
 [0.33333333 0.66666667 0.56087554]
 [0.         0.         0.        ]]
spacegroup =  194
cell =  [[5.0278, 0, 0], [-2.5139, 4.3542025251474, 0], [0, 0, 7.9092]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:12:55      -37.937866        1.1989
BFGS:    1 16:12:55      -37.981480        1.1261
BFGS:    2 16:12:55      -38.090829        0.8779
BFGS:    3 16:12:55      -38.167824        0.5772
BFGS:    4 16:12:55      -38.207474        0.3524
BFGS:    5 16:12:55      -38.217389        0.5499
BFGS:    6 16:12:55      -38.226736        0.5990
BFGS:    7 16:12:55      -38.252946        0.5307
BFGS:    8 16:12:55      -38.266517        0.3038
BFGS:    9 16:12:55      -38.270142        0.1463
BFGS:   10 16:12:55      -38.271717        0.0762
BFGS:   11 16:12:55      -38.272827        0.0545
BFGS:   12 16:12:55      -38.273655        0.0414
BFGS:   13 16:12:55      -38.273998        0.0193
BFGS:   14 16:12:55      -38.274053        0.0046
BFGS:   15 16:12:55      -38.274056        0.0004
BFGS:   16 16:12:55      -38.274056        0.0004
BFGS:   17 16:12:55      -38.274056        0.0004
BFGS:   18 16:12:55      -38.274056        0.0002
BFGS:   19 16:12:55      -38.274056        0.0001
BFGS:   20 16:12:55      -38.274056        0.0000
BFGS:   21 16:12:55      -38.274056        0.0000
BFGS:   22 16:12:55      -38.274056        0.0000
BFGS:   23 16:12:55      -38.274056        0.0000
Minimization converged after 23 steps.
Maximum force component: 8.875931351911157e-10 eV/Angstrom
Maximum stress component: 2.4413062732669834e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Mg', 'Mg', 'Mg', 'Mg', 'Si', 'Si']
basis =  [[1.65642403e-01 3.31284805e-01 2.50000000e-01]
 [6.68715195e-01 8.34357597e-01 2.50000000e-01]
 [1.65642403e-01 8.34357597e-01 2.50000000e-01]
 [8.34357597e-01 6.68715195e-01 7.50000000e-01]
 [3.31284805e-01 1.65642403e-01 7.50000000e-01]
 [8.34357597e-01 1.65642403e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 5.59801891e-01]
 [6.66666667e-01 3.33333333e-01 5.98018906e-02]
 [6.66666667e-01 3.33333333e-01 4.40198109e-01]
 [3.33333333e-01 6.66666667e-01 9.40198109e-01]
 [0.00000000e+00 9.58280845e-51 0.00000000e+00]
 [0.00000000e+00 1.16041821e-50 5.00000000e-01]]
cellpar =  Cell([[5.152965944327695, -7.499903115973625e-18, -9.434661884205853e-38], [-2.5764829721638476, 4.462599412623853, -4.5284617737980956e-39], [4.3383794483985535e-37, 1.9433166964464536e-36, 7.966974933008181]])
forces =  [[ 3.32282630e-26 -8.22644757e-10  9.53081088e-48]
 [ 7.12431258e-10  4.11322379e-10 -2.61868127e-31]
 [-7.12431258e-10  4.11322379e-10  8.27863194e-48]
 [-3.32282630e-26  8.22644757e-10 -9.53081088e-48]
 [-7.12431258e-10 -4.11322379e-10  1.78094428e-47]
 [ 7.12431258e-10 -4.11322379e-10 -8.27863194e-48]
 [-3.38747782e-31 -2.16010042e-46 -8.87593135e-10]
 [-1.69373891e-31  2.93364184e-31 -8.87593135e-10]
 [-3.38747782e-31  2.16996105e-46  8.87593135e-10]
 [-3.38747782e-31  5.86728369e-31  8.87593135e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.17839659e-11  3.17839659e-11  2.44130627e-10 -2.77350589e-33
  2.48514368e-47  1.25139879e-26]
energy per atom =  -3.1895046915014067
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0