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 11:29:15      -27.606629        1.2281
BFGS:    1 11:29:15      -27.637880        1.1890
BFGS:    2 11:29:15      -27.720093        1.0707
BFGS:    3 11:29:15      -27.791588        0.9403
BFGS:    4 11:29:15      -27.851370        0.7968
BFGS:    5 11:29:15      -27.898575        0.6396
BFGS:    6 11:29:15      -27.932675        0.4688
BFGS:    7 11:29:15      -27.953892        0.3109
BFGS:    8 11:29:15      -27.964533        0.3904
BFGS:    9 11:29:15      -27.970464        0.3848
BFGS:   10 11:29:15      -27.990132        0.2843
BFGS:   11 11:29:15      -28.005731        0.1602
BFGS:   12 11:29:15      -28.010293        0.1473
BFGS:   13 11:29:15      -28.011838        0.1240
BFGS:   14 11:29:15      -28.013335        0.1230
BFGS:   15 11:29:15      -28.015751        0.1232
BFGS:   16 11:29:15      -28.017537        0.0736
BFGS:   17 11:29:15      -28.018092        0.0194
BFGS:   18 11:29:15      -28.018153        0.0064
BFGS:   19 11:29:15      -28.018157        0.0046
BFGS:   20 11:29:15      -28.018159        0.0039
BFGS:   21 11:29:15      -28.018160        0.0015
BFGS:   22 11:29:15      -28.018160        0.0003
BFGS:   23 11:29:15      -28.018160        0.0001
BFGS:   24 11:29:15      -28.018160        0.0000
BFGS:   25 11:29:15      -28.018160        0.0000
BFGS:   26 11:29:15      -28.018160        0.0000
Minimization converged after 26 steps.
Maximum force component: 4.274111245483604e-09 eV/Angstrom
Maximum stress component: 6.6023026114820066e-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]
 [0.00000000e+00 9.36797390e-53 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([[4.118076761884233, -1.2024857325866867e-18, 6.975115347959748e-37], [-2.0590383809421167, 3.5663590905261064, 1.3951612472051666e-37], [3.6233636028158074e-36, -8.48320976549232e-37, 4.962421766383779]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.04675649e-45  4.79197413e-46 -2.80316029e-09]
 [ 2.04675649e-45 -4.79197413e-46  2.80316029e-09]
 [-5.07592150e-32  8.79175394e-32 -4.27411125e-09]
 [ 1.69197383e-32 -2.93058465e-32  4.27411125e-09]]
stress =  [ 4.77851988e-12  4.77851988e-12  6.60230261e-12  9.28625176e-34
 -1.29305609e-47  1.16500248e-28]
energy per atom =  -4.669693395841731
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0