element(s):
['Fe', 'Si']
AFLOW prototype label:
A2B_hP6_164_abd_d
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0848', '1.3250832', '0.30278722', '0.7758348']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Fe', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.69721278]
 [0.33333333 0.66666667 0.2241652 ]]
spacegroup =  164
cell =  [[4.0848, 0, 0], [-2.0424, 3.5375405693787, 0], [0, 0, 5.4127]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:36:07      -27.606629         1.228104
BFGS:    1 15:36:08      -27.637880         1.188965
BFGS:    2 15:36:08      -27.720093         1.070734
BFGS:    3 15:36:08      -27.791588         0.940296
BFGS:    4 15:36:08      -27.851370         0.796765
BFGS:    5 15:36:09      -27.898575         0.639562
BFGS:    6 15:36:09      -27.932675         0.468824
BFGS:    7 15:36:09      -27.953892         0.310851
BFGS:    8 15:36:09      -27.964533         0.390416
BFGS:    9 15:36:09      -27.970464         0.384825
BFGS:   10 15:36:10      -27.990132         0.284251
BFGS:   11 15:36:10      -28.005731         0.160182
BFGS:   12 15:36:10      -28.010293         0.147304
BFGS:   13 15:36:10      -28.011838         0.124000
BFGS:   14 15:36:10      -28.013335         0.122970
BFGS:   15 15:36:11      -28.015751         0.123233
BFGS:   16 15:36:11      -28.017537         0.073600
BFGS:   17 15:36:11      -28.018092         0.019399
BFGS:   18 15:36:11      -28.018153         0.006441
BFGS:   19 15:36:12      -28.018157         0.004643
BFGS:   20 15:36:12      -28.018159         0.003888
BFGS:   21 15:36:12      -28.018160         0.001487
BFGS:   22 15:36:13      -28.018160         0.000257
BFGS:   23 15:36:13      -28.018160         0.000064
BFGS:   24 15:36:13      -28.018160         0.000006
BFGS:   25 15:36:13      -28.018160         0.000000
BFGS:   26 15:36:13      -28.018160         0.000000
Minimization converged after 26 steps.
Maximum force component: 4.274108410945444e-09 eV/Angstrom
Maximum stress component: 6.602072587034149e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.18195874e-52 1.87359478e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 6.87799797e-01]
 [6.66666667e-01 3.33333333e-01 3.12200203e-01]
 [3.33333333e-01 6.66666667e-01 2.04598622e-01]
 [6.66666667e-01 3.33333333e-01 7.95401378e-01]]
cellpar =  Cell([[4.118076761884232, 4.3175433338520705e-18, -1.6425655822992022e-38], [-2.059038380942116, 3.566359090526107, 5.556737587787111e-37], [4.344721865815832e-36, 2.547780310088332e-36, 4.962421766383779]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.76789534e-32  1.17223386e-31 -2.80316052e-09]
 [ 1.35357907e-31  1.43932575e-45  2.80316052e-09]
 [-3.74208666e-45 -2.19439011e-45 -4.27410841e-09]
 [ 1.69197383e-32  2.93058465e-32  4.27410841e-09]]
stress =  [ 4.77819446e-12  4.77819446e-12  6.60207259e-12 -1.53951247e-47
 -8.29626166e-48  1.13731105e-27]
energy per atom =  -4.669693395841729
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0