element(s):
['Al', 'N']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1301', '1.6009073', '0.50007771', '0.88202229']
model name:
MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.50007771]
 [0.33333333 0.66666667 0.88202229]]
spacegroup =  186
cell =  [[3.1301, 0, 0], [-1.56505, 2.7107461163857, 0], [0, 0, 5.011]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:40:49      -23.020625        0.3542
BFGS:    1 15:40:49      -23.024596        0.2652
BFGS:    2 15:40:49      -23.030119        0.1191
BFGS:    3 15:40:49      -23.031126        0.0860
BFGS:    4 15:40:49      -23.031742        0.0029
BFGS:    5 15:40:49      -23.031743        0.0003
BFGS:    6 15:40:49      -23.031743        0.0001
BFGS:    7 15:40:49      -23.031743        0.0001
BFGS:    8 15:40:49      -23.031743        0.0001
BFGS:    9 15:40:49      -23.031743        0.0001
BFGS:   10 15:40:49      -23.031743        0.0000
BFGS:   11 15:40:49      -23.031743        0.0000
BFGS:   12 15:40:49      -23.031743        0.0000
BFGS:   13 15:40:49      -23.031743        0.0000
BFGS:   14 15:40:49      -23.031743        0.0000
Minimization converged after 14 steps.
Maximum force component: 6.555667003173285e-10 eV/Angstrom
Maximum stress component: 3.1841111812173693e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 5.00856451e-01]
 [6.66666663e-01 3.33333337e-01 8.56450878e-04]
 [3.33333330e-01 6.66666670e-01 8.81243549e-01]
 [6.66666663e-01 3.33333337e-01 3.81243549e-01]]
cellpar =  Cell([[3.112267813107977, 4.555225786203269e-18, 3.948869009026166e-40], [-1.5561339065539885, 2.695302989532147, -7.841446697048251e-40], [-1.768312255469241e-38, 1.1626299354056419e-38, 4.9784318102038885]])
forces =  [[ 1.02297767e-31 -1.38124033e-48 -6.55566700e-10]
 [-1.79021092e-31  1.32888697e-31 -6.55566700e-10]
 [ 1.15084988e-31 -2.21481162e-32  6.55566407e-10]
 [-1.53446650e-31  8.85924648e-32  6.55566407e-10]]
stress =  [-3.18411118e-11 -3.18411118e-11 -3.17538639e-11 -2.19056324e-48
 -8.91266860e-49  1.61912631e-26]
energy per atom =  -5.757935674468728
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0