element(s):
['Al', 'H']
AFLOW prototype label:
AB3_hR8_167_b_e
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3860903', '2.6843808', '0.89089607']
model name:
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'H']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.64089607 0.         0.25      ]]
spacegroup =  167
cell =  [[4.3861, 0, 0], [-2.19305, 3.7984740235389, 0], [0, 0, 11.7739]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:56:05      -59.111185         1.731953
BFGS:    1 16:56:05      -59.837469         1.492061
BFGS:    2 16:56:05      -61.114313         1.348013
BFGS:    3 16:56:05      -62.246116         1.067590
BFGS:    4 16:56:05      -62.928789         0.389075
BFGS:    5 16:56:05      -63.040651         0.259649
BFGS:    6 16:56:05      -63.043089         0.251110
BFGS:    7 16:56:05      -63.045502         0.243636
BFGS:    8 16:56:05      -63.052493         0.227100
BFGS:    9 16:56:05      -63.063159         0.208721
BFGS:   10 16:56:05      -63.072944         0.191037
BFGS:   11 16:56:05      -63.082278         0.174103
BFGS:   12 16:56:05      -63.091529         0.157951
BFGS:   13 16:56:05      -63.100983         0.142588
BFGS:   14 16:56:05      -63.110841         0.127997
BFGS:   15 16:56:05      -63.121228         0.121419
BFGS:   16 16:56:05      -63.132212         0.125843
BFGS:   17 16:56:06      -63.143696         0.118254
BFGS:   18 16:56:06      -63.153813         0.089995
BFGS:   19 16:56:06      -63.161270         0.071837
BFGS:   20 16:56:06      -63.166277         0.062091
BFGS:   21 16:56:06      -63.168957         0.051426
BFGS:   22 16:56:07      -63.169602         0.049886
BFGS:   23 16:56:07      -63.169725         0.050614
BFGS:   24 16:56:07      -63.171204         0.057710
BFGS:   25 16:56:07      -63.172528         0.062830
BFGS:   26 16:56:07      -63.174206         0.064606
BFGS:   27 16:56:08      -63.176568         0.062524
BFGS:   28 16:56:08      -63.179664         0.056355
BFGS:   29 16:56:08      -63.183383         0.045299
BFGS:   30 16:56:08      -63.186577         0.035925
BFGS:   31 16:56:08      -63.188756         0.021652
BFGS:   32 16:56:08      -63.189514         0.005331
BFGS:   33 16:56:08      -63.189567         0.002136
BFGS:   34 16:56:09      -63.189582         0.000157
BFGS:   35 16:56:09      -63.189583         0.000017
BFGS:   36 16:56:09      -63.189583         0.000000
BFGS:   37 16:56:09      -63.189583         0.000000
Minimization converged after 37 steps.
Maximum force component: 4.58008588843511e-09 eV/Angstrom
Maximum stress component: 7.742999841699637e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H']
basis =  [[0.00000000e+00 0.00000000e+00 1.11349707e-31]
 [1.39821092e-17 5.84562652e-17 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [6.66666667e-01 3.33333333e-01 8.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [3.33333333e-01 6.66666667e-01 1.66666667e-01]
 [5.96223796e-01 2.92281326e-17 2.50000000e-01]
 [0.00000000e+00 5.96223796e-01 2.50000000e-01]
 [4.03776204e-01 4.03776204e-01 2.50000000e-01]
 [2.62890462e-01 3.33333333e-01 5.83333333e-01]
 [6.66666667e-01 9.29557129e-01 5.83333333e-01]
 [7.04428711e-02 7.37109538e-01 5.83333333e-01]
 [9.29557129e-01 6.66666667e-01 9.16666667e-01]
 [3.33333333e-01 2.62890462e-01 9.16666667e-01]
 [7.37109538e-01 7.04428711e-02 9.16666667e-01]
 [4.03776204e-01 8.76843978e-17 7.50000000e-01]
 [1.00000000e+00 4.03776204e-01 7.50000000e-01]
 [5.96223796e-01 5.96223796e-01 7.50000000e-01]
 [7.04428711e-02 3.33333333e-01 8.33333333e-02]
 [6.66666667e-01 7.37109538e-01 8.33333333e-02]
 [2.62890462e-01 9.29557129e-01 8.33333333e-02]
 [7.37109538e-01 6.66666667e-01 4.16666667e-01]
 [3.33333333e-01 7.04428711e-02 4.16666667e-01]
 [9.29557129e-01 2.62890462e-01 4.16666667e-01]]
cellpar =  Cell([[4.372116297111111, 1.3506281434987305e-19, 1.1578109452459288e-16], [-2.1860581485555555, 3.7863637815981726, 2.311465631462507e-16], [3.114091293317671e-16, 4.546848226879938e-16, 11.201764131133542]])
forces =  [[-8.52980860e-49 -1.24542736e-48 -3.06827562e-32]
 [-5.98783267e-33  4.98152448e-48  1.22731025e-31]
 [ 5.98783267e-33 -1.03712304e-32  4.79418066e-33]
 [-7.48479084e-33  2.59280760e-33 -1.07389647e-31]
 [-8.52980860e-49 -1.24542736e-48 -3.06827562e-32]
 [ 3.41192344e-48  4.98170946e-48  1.22731025e-31]
 [ 4.58008589e-09  1.41715549e-28  1.21288300e-25]
 [-2.29004294e-09  3.96647073e-09  2.42141556e-25]
 [-2.29004294e-09 -3.96647073e-09 -3.63430209e-25]
 [ 4.58008589e-09  1.41487382e-28  1.21288545e-25]
 [-2.29004294e-09  3.96647073e-09  2.42141418e-25]
 [-2.29004294e-09 -3.96647073e-09 -3.63429691e-25]
 [ 4.58008589e-09  1.41694807e-28  1.21288269e-25]
 [-2.29004294e-09  3.96647073e-09  2.42141541e-25]
 [-2.29004294e-09 -3.96647073e-09 -3.63430173e-25]
 [-4.58008589e-09 -1.41528867e-28 -1.21288423e-25]
 [ 2.29004294e-09 -3.96647073e-09 -2.42141664e-25]
 [ 2.29004294e-09  3.96647073e-09  3.63430178e-25]
 [-4.58008589e-09 -1.41362928e-28 -1.21288637e-25]
 [ 2.29004294e-09 -3.96647073e-09 -2.42141679e-25]
 [ 2.29004294e-09  3.96647073e-09  3.63430086e-25]
 [-4.58008589e-09 -1.41487382e-28 -1.21288430e-25]
 [ 2.29004294e-09 -3.96647073e-09 -2.42141652e-25]
 [ 2.29004294e-09  3.96647073e-09  3.63429964e-25]]
stress =  [-1.37343986e-10 -1.37343986e-10  7.74299984e-10 -2.81362513e-24
 -9.72810800e-25  5.42725971e-27]
energy per atom =  -2.6328992721358877
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0