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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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 14:08:39       -9.632296         0.805989
BFGS:    1 14:08:40       -9.651433         0.638509
BFGS:    2 14:08:40       -9.678486         0.097222
BFGS:    3 14:08:40       -9.679123         0.028512
BFGS:    4 14:08:40       -9.679137         0.017194
BFGS:    5 14:08:40       -9.679149         0.011898
BFGS:    6 14:08:40       -9.679165         0.009229
BFGS:    7 14:08:40       -9.679171         0.003518
BFGS:    8 14:08:41       -9.679172         0.000883
BFGS:    9 14:08:41       -9.679172         0.000082
BFGS:   10 14:08:41       -9.679172         0.000003
BFGS:   11 14:08:41       -9.679172         0.000000
BFGS:   12 14:08:41       -9.679172         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.540048731874196e-32 eV/Angstrom
Maximum stress component: 1.1329424621667731e-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([[2.946660096013177, -1.5982046809025437e-17, 4.459142043183289e-37], [-1.4733300480065885, 2.551882499465304, 2.201380584755749e-36], [-2.598196309274245e-38, -1.5254032831761246e-35, 4.655252223009449]])
forces =  [[-4.54004873e-32  3.66967770e-32  2.79922511e-68]
 [-6.05339831e-33 -3.14543803e-32 -3.07983219e-68]]
stress =  [ 5.89394849e-11  5.89394849e-11  1.13294246e-10 -1.42665600e-33
 -7.48800207e-35  1.73972987e-26]
energy per atom =  -4.8395858439290524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0