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_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_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       -9.632296         0.805989
BFGS:    1 11:18:54       -9.651433         0.638509
BFGS:    2 11:18:54       -9.678486         0.097222
BFGS:    3 11:18:54       -9.679123         0.028512
BFGS:    4 11:18:55       -9.679137         0.017194
BFGS:    5 11:18:55       -9.679149         0.011898
BFGS:    6 11:18:55       -9.679165         0.009229
BFGS:    7 11:18:55       -9.679171         0.003518
BFGS:    8 11:18:55       -9.679172         0.000883
BFGS:    9 11:18:56       -9.679172         0.000082
BFGS:   10 11:18:56       -9.679172         0.000003
BFGS:   11 11:18:56       -9.679172         0.000000
BFGS:   12 11:18:56       -9.679172         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.5400487318741906e-33 eV/Angstrom
Maximum stress component: 1.1329394251901336e-10 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([[2.9466600960131735, -4.9469798822916e-18, 1.1340939444610788e-37], [-1.4733300480065867, 2.551882499465302, -4.785331524152309e-38], [-1.7197940987663034e-37, 5.042310924641124e-37, 4.655252223009489]])
forces =  [[-4.54004873e-33  2.62119836e-33 -1.65643030e-70]
 [ 4.54004873e-33 -2.62119836e-33  1.65643030e-70]]
stress =  [ 5.89392071e-11  5.89392071e-11  1.13293943e-10  2.07513600e-33
  2.70576275e-47 -4.52878929e-27]
energy per atom =  -4.839585843929051
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0