element(s):
['Ti']
AFLOW prototype label:
A_hP3_191_ad
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7179', '0.60942368']
model name:
MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.7179, 0, 0], [-2.35895, 4.0858212525146, 0], [0, 0, 2.8752]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:41:07      -13.968288        0.5727
BFGS:    1 09:41:07      -13.974892        0.5032
BFGS:    2 09:41:07      -13.992713        0.0760
BFGS:    3 09:41:07      -13.992900        0.0526
BFGS:    4 09:41:07      -13.993162        0.0545
BFGS:    5 09:41:07      -13.993373        0.0293
BFGS:    6 09:41:07      -13.993417        0.0067
BFGS:    7 09:41:07      -13.993421        0.0009
BFGS:    8 09:41:07      -13.993421        0.0001
BFGS:    9 09:41:07      -13.993421        0.0000
BFGS:   10 09:41:07      -13.993421        0.0000
BFGS:   11 09:41:07      -13.993421        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.925478972929932e-32 eV/Angstrom
Maximum stress component: 2.2778034590477546e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.686402385462009, 1.3828214278034505e-17, -2.6652447746860857e-37], [-2.3432011927310046, 4.058543518166092, -8.732420230637205e-38], [6.413311549707037e-37, 8.647024752579822e-37, 2.8133617818730814]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.92547897e-32  5.68153002e-50  1.44489005e-33]
 [-9.62739486e-33 -1.66751371e-32 -1.44489005e-33]]
stress =  [-2.27780346e-11 -2.27780346e-11 -8.65983402e-12 -5.39752513e-34
 -3.11626259e-34  4.35291708e-27]
energy per atom =  -4.6644735617658855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0