element(s):
['N', 'Ti']
AFLOW prototype label:
AB2_tP6_136_a_f
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:
['5.0427', '0.61086323', '0.29659081']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.29659081 0.29659081 0.        ]]
spacegroup =  136
cell =  [[5.0427, 0, 0], [0, 5.0427, 0], [0, 0, 3.0804]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:51:28      -36.935089        0.8315
BFGS:    1 13:51:28      -36.964693        0.7560
BFGS:    2 13:51:28      -37.048506        0.4076
BFGS:    3 13:51:28      -37.071332        0.2358
BFGS:    4 13:51:28      -37.074222        0.1703
BFGS:    5 13:51:28      -37.077902        0.0360
BFGS:    6 13:51:28      -37.077925        0.0339
BFGS:    7 13:51:28      -37.078290        0.0110
BFGS:    8 13:51:28      -37.078318        0.0041
BFGS:    9 13:51:28      -37.078320        0.0004
BFGS:   10 13:51:28      -37.078320        0.0000
BFGS:   11 13:51:28      -37.078320        0.0000
BFGS:   12 13:51:28      -37.078320        0.0000
BFGS:   13 13:51:28      -37.078320        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.9195778527300054e-11 eV/Angstrom
Maximum stress component: 2.8314866885442357e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.93500974e-01 2.93500974e-01 1.02461571e-32]
 [7.06499026e-01 7.06499026e-01 0.00000000e+00]
 [2.06499026e-01 7.93500974e-01 5.00000000e-01]
 [7.93500974e-01 2.06499026e-01 5.00000000e-01]]
cellpar =  Cell([[4.939340686242527, -3.8481734281456206e-37, -6.008592103644608e-33], [-6.422127297605435e-36, 4.939340686242526, -7.79929752930823e-18], [2.457258677877905e-33, -4.7603096591623866e-18, 3.045050425247028]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.91957785e-11 -4.91957785e-11  7.76809170e-29]
 [ 4.91957785e-11  4.91957785e-11 -7.76809170e-29]
 [ 4.91957785e-11 -4.91957785e-11  7.76668421e-29]
 [-4.91957785e-11  4.91957785e-11 -7.76809170e-29]]
stress =  [ 2.46648178e-12  2.46648178e-12 -2.83148669e-12  4.81816312e-28
 -4.09757577e-34  1.19029930e-49]
energy per atom =  -6.179720061794132
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0