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_KimKimJung_2016_AlTi__MO_618133763375_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 15:14:29       -9.707241         0.666265
BFGS:    1 15:14:29       -9.723322         0.513188
BFGS:    2 15:14:29       -9.745155         0.060116
BFGS:    3 15:14:29       -9.745382         0.005966
BFGS:    4 15:14:29       -9.745383         0.003915
BFGS:    5 15:14:29       -9.745384         0.004065
BFGS:    6 15:14:29       -9.745385         0.002571
BFGS:    7 15:14:29       -9.745385         0.000898
BFGS:    8 15:14:30       -9.745385         0.000117
BFGS:    9 15:14:30       -9.745385         0.000009
BFGS:   10 15:14:30       -9.745385         0.000001
BFGS:   11 15:14:30       -9.745385         0.000000
BFGS:   12 15:14:30       -9.745385         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.2400434900886555e-33 eV/Angstrom
Maximum stress component: 2.8323735242269356e-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([[2.945337389203352, 1.3348548408343186e-17, -9.324951362291194e-40], [-1.472668694601676, 2.5507370017662376, 2.1309914359969182e-38], [1.9246218188538414e-37, 1.058630945200418e-38, 4.687408041076873]])
forces =  [[-3.02534052e-33  5.24004349e-33  4.37774957e-71]
 [ 3.02534052e-33 -5.24004349e-33 -4.37774957e-71]]
stress =  [ 1.60972983e-11  1.60972983e-11  2.83237352e-11  6.87275334e-34
 -7.19261999e-48  3.92333363e-28]
energy per atom =  -4.872692726151213
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0