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_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_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 22:18:18       -9.703747         0.645637
BFGS:    1 22:18:18       -9.716716         0.528142
BFGS:    2 22:18:18       -9.739106         0.152785
BFGS:    3 22:18:18       -9.739507         0.096808
BFGS:    4 22:18:18       -9.739740         0.068914
BFGS:    5 22:18:18       -9.740244         0.030906
BFGS:    6 22:18:18       -9.740319         0.010291
BFGS:    7 22:18:19       -9.740327         0.001702
BFGS:    8 22:18:19       -9.740327         0.000130
BFGS:    9 22:18:19       -9.740327         0.000003
BFGS:   10 22:18:19       -9.740327         0.000000
BFGS:   11 22:18:19       -9.740327         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.409569709497126e-32 eV/Angstrom
Maximum stress component: 3.300086521005593e-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([[2.925842896734072, 9.14258814077808e-18, 3.077367208327829e-36], [-1.462921448367036, 2.533854276053956, 4.231735699009091e-36], [2.9240582110075596e-37, 9.716612836793662e-36, 4.749421576471197]])
forces =  [[-5.40956971e-32  1.04107218e-32  3.90274271e-32]
 [ 5.40956971e-32 -1.04107218e-32 -3.90274271e-32]]
stress =  [-1.60492679e-11 -1.60492679e-11 -3.30008652e-11 -1.39880741e-46
 -5.01663138e-47  9.11121247e-27]
energy per atom =  -4.8701634546925145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0