element(s):
['Mg', 'Zn']
AFLOW prototype label:
AB2_oC12_63_c_ac
Parameter names:
['a', 'b/a', 'c/a', 'y2', 'y3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9129', '1.5940483', '1.0959311', '0.63662035', '0.29208245']
model name:
EAM_IMD_BrommerBoissieuEuchner_2009_MgZn__MO_710767216198_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Zn', 'Zn']
representative atom coordinates =  [[0.         0.63662035 0.25      ]
 [0.         0.         0.        ]
 [0.         0.29208245 0.25      ]]
spacegroup =  63
cell =  [[4.9129, 0, 0], [0, 7.8314, 0], [0, 0, 5.3842]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:21:35      -15.209982         0.297483
BFGS:    1 13:21:35      -15.213964         0.291547
BFGS:    2 13:21:35      -15.246974         0.218707
BFGS:    3 13:21:35      -15.258506         0.168166
BFGS:    4 13:21:35      -15.261104         0.172433
BFGS:    5 13:21:35      -15.275759         0.169711
BFGS:    6 13:21:35      -15.290702         0.152888
BFGS:    7 13:21:35      -15.305107         0.132733
BFGS:    8 13:21:35      -15.318326         0.114079
BFGS:    9 13:21:35      -15.329566         0.114876
BFGS:   10 13:21:35      -15.338381         0.140235
BFGS:   11 13:21:35      -15.344376         0.172797
BFGS:   12 13:21:35      -15.346235         0.173182
BFGS:   13 13:21:35      -15.347010         0.161900
BFGS:   14 13:21:35      -15.348182         0.143804
BFGS:   15 13:21:35      -15.350938         0.103621
BFGS:   16 13:21:35      -15.355027         0.074094
BFGS:   17 13:21:35      -15.358491         0.052158
BFGS:   18 13:21:35      -15.359704         0.021214
BFGS:   19 13:21:35      -15.359857         0.021803
BFGS:   20 13:21:35      -15.359881         0.022104
BFGS:   21 13:21:35      -15.359898         0.022086
BFGS:   22 13:21:35      -15.359958         0.021516
BFGS:   23 13:21:35      -15.360075         0.019548
BFGS:   24 13:21:35      -15.360299         0.016057
BFGS:   25 13:21:35      -15.360607         0.014620
BFGS:   26 13:21:35      -15.360894         0.009296
BFGS:   27 13:21:35      -15.361166         0.014530
BFGS:   28 13:21:35      -15.361586         0.024179
BFGS:   29 13:21:35      -15.362043         0.038496
BFGS:   30 13:21:35      -15.362270         0.062307
BFGS:   31 13:21:35      -15.362587         0.041885
BFGS:   32 13:21:35      -15.362742         0.044453
BFGS:   33 13:21:35      -15.362734         0.068531
BFGS:   34 13:21:35      -15.363457         0.052775
BFGS:   35 13:21:35      -15.364062         0.043062
BFGS:   36 13:21:35      -15.365835         0.033904
BFGS:   37 13:21:35      -15.367270         0.024690
BFGS:   38 13:21:35      -15.368126         0.016094
BFGS:   39 13:21:35      -15.368298         0.018909
BFGS:   40 13:21:35      -15.368325         0.021443
BFGS:   41 13:21:35      -15.368337         0.023105
BFGS:   42 13:21:35      -15.368341         0.023450
BFGS:   43 13:21:35      -15.368348         0.024022
BFGS:   44 13:21:35      -15.368354         0.024166
BFGS:   45 13:21:35      -15.368382         0.024103
BFGS:   46 13:21:35      -15.368436         0.023000
BFGS:   47 13:21:35      -15.368556         0.018985
BFGS:   48 13:21:35      -15.368721         0.010956
BFGS:   49 13:21:35      -15.368845         0.006129
BFGS:   50 13:21:35      -15.368882         0.001600
BFGS:   51 13:21:35      -15.368886         0.000291
BFGS:   52 13:21:35      -15.368886         0.000029
BFGS:   53 13:21:35      -15.368886         0.000002
BFGS:   54 13:21:35      -15.368886         0.000000
BFGS:   55 13:21:35      -15.368886         0.000000
BFGS:   56 13:21:35      -15.368886         0.000000
Minimization converged after 56 steps.
Maximum force component: 4.41154007457982e-09 eV/Angstrom
Maximum stress component: 1.2379048269708348e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[5.63766861e-35 6.66666667e-01 2.50000000e-01]
 [3.95446412e-35 3.33333333e-01 7.50000000e-01]
 [5.00000000e-01 1.66666667e-01 2.50000000e-01]
 [5.00000000e-01 8.33333333e-01 7.50000000e-01]
 [0.00000000e+00 1.13412470e-16 0.00000000e+00]
 [0.00000000e+00 1.13412470e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 3.33333333e-01 2.50000000e-01]
 [1.04931238e-36 6.66666667e-01 7.50000000e-01]
 [5.00000000e-01 8.33333333e-01 2.50000000e-01]
 [5.00000000e-01 1.66666667e-01 7.50000000e-01]]
cellpar =  Cell([[4.569364846505605, -2.3967047716477388e-37, 0.0], [-1.27710072347357e-36, 7.914372072663242, 0.0], [0.0, 0.0, 5.460024169683322]])
forces =  [[ 7.11867091e-46 -4.41154007e-09 -2.69199976e-31]
 [-7.11867091e-46  4.41154007e-09  2.69199976e-31]
 [ 7.11867091e-46 -4.41154007e-09 -2.69199976e-31]
 [-7.11867091e-46  4.41154007e-09  2.69199976e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.80864533e-46  1.74055685e-09 -2.69199976e-31]
 [ 2.80864533e-46 -1.74055685e-09  1.34599988e-31]
 [-2.80864533e-46  1.74055685e-09 -1.34599988e-31]
 [ 2.80864533e-46 -1.74055685e-09  1.34599988e-31]]
stress =  [-1.03779690e-10 -8.45837790e-11  1.23790483e-10  0.00000000e+00
  0.00000000e+00  2.42001383e-47]
energy per atom =  -1.0926579245818047
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB2_oC12_63_c_ac, while relaxed is AB2_hP6_194_c_ad. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.