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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 11:53:15      -23.020625         0.354191
BFGS:    1 11:53:15      -23.024596         0.265176
BFGS:    2 11:53:15      -23.030119         0.119062
BFGS:    3 11:53:15      -23.031126         0.085956
BFGS:    4 11:53:15      -23.031742         0.002930
BFGS:    5 11:53:15      -23.031743         0.000312
BFGS:    6 11:53:15      -23.031743         0.000150
BFGS:    7 11:53:15      -23.031743         0.000118
BFGS:    8 11:53:15      -23.031743         0.000110
BFGS:    9 11:53:15      -23.031743         0.000083
BFGS:   10 11:53:15      -23.031743         0.000029
BFGS:   11 11:53:15      -23.031743         0.000005
BFGS:   12 11:53:15      -23.031743         0.000000
BFGS:   13 11:53:15      -23.031743         0.000000
BFGS:   14 11:53:15      -23.031743         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.555813600317429e-10 eV/Angstrom
Maximum stress component: 3.184046101527309e-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([[3.112267813108006, 8.903363917279114e-19, 2.0162822477586218e-37], [-1.556133906554003, 2.695302989532172, 1.2097727136837706e-36], [-4.845539930697201e-37, -2.7424213407691826e-37, 4.978431810203918]])
forces =  [[-5.11488834e-32  8.85924648e-32 -6.55581360e-10]
 [ 2.04595534e-31  3.61719156e-47 -6.55581360e-10]
 [-6.38081534e-47 -3.61133835e-47  6.55581308e-10]
 [-6.38081534e-47 -3.61133835e-47  6.55581308e-10]]
stress =  [-3.18404610e-11 -3.18404610e-11 -3.17550187e-11  2.44956538e-33
 -3.40403313e-47  2.19378593e-27]
energy per atom =  -5.75793567446872
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0