element(s):
['Mg', 'Zn']
AFLOW prototype label:
AB2_hP12_194_f_ah
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:
['5.1695', '1.6418416', '0.56282039', '0.16949368']
model name:
EAM_IMD_BrommerBoissieuEuchner_2009_MgZn__MO_710767216198_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Zn', 'Zn']
representative atom coordinates =  [[0.33333333 0.66666667 0.06282039]
 [0.         0.         0.        ]
 [0.83050632 0.66101264 0.25      ]]
spacegroup =  194
cell =  [[5.1695, 0, 0], [-2.58475, 4.4769183248637, 0], [0, 0, 8.4875]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:56:18      -16.441003         0.046652
BFGS:    1 11:56:18      -16.441279         0.037854
BFGS:    2 11:56:18      -16.442154         0.031840
BFGS:    3 11:56:18      -16.442224         0.031185
BFGS:    4 11:56:18      -16.442807         0.018806
BFGS:    5 11:56:18      -16.442826         0.017160
BFGS:    6 11:56:19      -16.442841         0.015701
BFGS:    7 11:56:19      -16.442868         0.012864
BFGS:    8 11:56:19      -16.442912         0.010659
BFGS:    9 11:56:19      -16.442950         0.007967
BFGS:   10 11:56:19      -16.442964         0.004154
BFGS:   11 11:56:19      -16.442967         0.004171
BFGS:   12 11:56:19      -16.442968         0.003983
BFGS:   13 11:56:19      -16.442970         0.003489
BFGS:   14 11:56:19      -16.442975         0.003791
BFGS:   15 11:56:19      -16.442983         0.003935
BFGS:   16 11:56:19      -16.442990         0.002926
BFGS:   17 11:56:19      -16.442993         0.001010
BFGS:   18 11:56:19      -16.442994         0.000112
BFGS:   19 11:56:19      -16.442994         0.000009
BFGS:   20 11:56:19      -16.442994         0.000001
BFGS:   21 11:56:19      -16.442994         0.000000
BFGS:   22 11:56:19      -16.442994         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.1320535931132286e-09 eV/Angstrom
Maximum stress component: 1.7090570828885748e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[3.33333330e-01 6.66666670e-01 6.15815262e-02]
 [6.66666663e-01 3.33333337e-01 5.61581526e-01]
 [6.66666663e-01 3.33333337e-01 9.38418474e-01]
 [3.33333330e-01 6.66666670e-01 4.38418474e-01]
 [9.99999997e-01 3.33333352e-09 2.61613673e-17]
 [9.99999997e-01 3.33333352e-09 5.00000000e-01]
 [8.30091625e-01 6.60183260e-01 2.50000000e-01]
 [3.39816740e-01 1.69908375e-01 2.50000000e-01]
 [8.30091625e-01 1.69908375e-01 2.50000000e-01]
 [1.69908368e-01 3.39816747e-01 7.50000000e-01]
 [6.60183253e-01 8.30091632e-01 7.50000000e-01]
 [1.69908368e-01 8.30091632e-01 7.50000000e-01]]
cellpar =  Cell([[5.165891326486536, 7.439500757328496e-19, -1.0437370753820815e-38], [-2.582945663243268, 4.473793121927029, -9.527836290558312e-39], [-2.0550383238341723e-38, 8.506234577736819e-38, 8.464929963572962]])
forces =  [[-6.25967027e-32  3.48956592e-32  4.15729478e-10]
 [ 1.16736632e-31 -5.51437577e-32  4.15729478e-10]
 [ 6.23479740e-32 -3.44648486e-32 -4.15729478e-10]
 [-1.16736632e-31  5.51437577e-32 -4.15729478e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.18161590e-26 -2.13205359e-09 -8.69485978e-33]
 [ 1.84641257e-09  1.06602680e-09  3.80400116e-32]
 [-1.84641257e-09  1.06602680e-09  2.17371495e-33]
 [ 9.18161590e-26  2.13205359e-09 -7.02767733e-48]
 [-1.84641257e-09 -1.06602680e-09  7.24440351e-48]
 [ 1.84641257e-09 -1.06602680e-09 -2.16726184e-49]]
stress =  [8.81439790e-11 8.81439790e-11 1.70905708e-10 5.42462777e-35
 9.39573090e-35 3.31976001e-26]
energy per atom =  -1.1821668972664847
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0