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:
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_002
==== 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 09:49:47       -9.609215        0.8363
BFGS:    1 09:49:47       -9.631568        0.6626
BFGS:    2 09:49:47       -9.663160        0.1824
BFGS:    3 09:49:47       -9.663832        0.0946
BFGS:    4 09:49:47       -9.664032        0.0753
BFGS:    5 09:49:47       -9.664639        0.0116
BFGS:    6 09:49:47       -9.664647        0.0019
BFGS:    7 09:49:47       -9.664647        0.0001
BFGS:    8 09:49:47       -9.664647        0.0000
BFGS:    9 09:49:47       -9.664647        0.0000
BFGS:   10 09:49:47       -9.664647        0.0000
Minimization converged after 10 steps.
Maximum force component: 4.930600222469306e-32 eV/Angstrom
Maximum stress component: 7.43901034972325e-12 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([[2.917268111252885, 2.175227575855837e-18, 1.1302154364499794e-37], [-1.4586340556264425, 2.526428293995247, 4.017556625881272e-37], [9.43681111931895e-39, -6.7482620603031965e-37, 4.7306139460728565]])
forces =  [[-4.04528689e-32  4.93060022e-32 -4.85910990e-33]
 [ 1.04877808e-32 -3.89257912e-32  4.85910990e-33]]
stress =  [-7.43901035e-12 -7.43901035e-12 -6.86019000e-12  6.87550681e-34
  8.71835995e-49  2.34213469e-27]
energy per atom =  -4.832323727553298
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0