element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
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:
['3.0022', '1.5915662']
model name:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:18:54       -9.673538         0.847105
BFGS:    1 11:18:54       -9.698666         0.665095
BFGS:    2 11:18:54       -9.733363         0.135147
BFGS:    3 11:18:54       -9.734032         0.036133
BFGS:    4 11:18:54       -9.734071         0.037506
BFGS:    5 11:18:55       -9.734211         0.021551
BFGS:    6 11:18:55       -9.734230         0.006944
BFGS:    7 11:18:55       -9.734233         0.000638
BFGS:    8 11:18:55       -9.734233         0.000038
BFGS:    9 11:18:55       -9.734233         0.000002
BFGS:   10 11:18:55       -9.734233         0.000000
BFGS:   11 11:18:55       -9.734233         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.6015945508799565e-32 eV/Angstrom
Maximum stress component: 1.0604824134132582e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.921960636289086, 1.6443409142155468e-18, -1.7509533273739489e-37], [-1.460980318144543, 2.5304921398844926, -2.404960353285108e-37], [-6.1910282991089406e-37, -1.6188979517813915e-35, 4.693398936372827]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.60159455e-32 -2.07938158e-32  5.37417265e-70]]
stress =  [ 1.06048241e-11  1.06048241e-11  5.34081364e-12 -2.90697694e-47
 -2.12624318e-47  1.37516981e-27]
energy per atom =  -4.867116465270907
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0