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:
EAM_Dynamo_Ackland_1992_Ti__MO_748534961139_005
==== 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 13:54:21       -9.689524        0.4555
BFGS:    1 13:54:21       -9.696944        0.3398
BFGS:    2 13:54:21       -9.705596        0.0346
BFGS:    3 13:54:21       -9.705649        0.0042
BFGS:    4 13:54:21       -9.705650        0.0047
BFGS:    5 13:54:21       -9.705652        0.0041
BFGS:    6 13:54:21       -9.705652        0.0019
BFGS:    7 13:54:21       -9.705652        0.0003
BFGS:    8 13:54:21       -9.705653        0.0000
BFGS:    9 13:54:21       -9.705653        0.0000
BFGS:   10 13:54:21       -9.705653        0.0000
BFGS:   11 13:54:21       -9.705653        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.5540613323742434e-31 eV/Angstrom
Maximum stress component: 6.533379480506535e-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([[2.9665984463445705, 8.631368187222604e-18, -1.0365000712130424e-38], [-1.4832992231722852, 2.5691496173618447, -2.493802868581845e-38], [6.546285374227521e-37, -1.4352158696652118e-35, 4.722420433425104]])
forces =  [[-1.55406133e-31  5.80565589e-32 -1.94027753e-32]
 [ 1.55406133e-31 -5.80565589e-32  1.94027753e-32]]
stress =  [ 6.39803997e-11  6.39803997e-11  6.53337948e-11 -2.37051768e-33
  5.86551009e-34 -4.40599504e-26]
energy per atom =  -4.852826252291412
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0