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_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== 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 09:49:35       -9.665833        0.7048
BFGS:    1 09:49:35       -9.680570        0.5226
BFGS:    2 09:49:35       -9.699898        0.0427
BFGS:    3 09:49:35       -9.699996        0.0054
BFGS:    4 09:49:35       -9.699997        0.0053
BFGS:    5 09:49:35       -9.699998        0.0053
BFGS:    6 09:49:35       -9.700000        0.0031
BFGS:    7 09:49:35       -9.700000        0.0008
BFGS:    8 09:49:35       -9.700000        0.0001
BFGS:    9 09:49:35       -9.700000        0.0000
BFGS:   10 09:49:35       -9.700000        0.0000
BFGS:   11 09:49:35       -9.700000        0.0000
BFGS:   12 09:49:35       -9.700000        0.0000
Minimization converged after 12 steps.
Maximum force component: 7.274778046385636e-32 eV/Angstrom
Maximum stress component: 2.2427183944852428e-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([[2.951000562248927, 1.3254425688335805e-17, -1.791406591245065e-39], [-1.4755002811244635, 2.555641453489734, -3.122034806278117e-38], [1.2512033639823941e-36, -6.692829894864655e-37, 4.68618105594495]])
forces =  [[-7.27477805e-32  4.20009506e-32 -4.83652946e-70]
 [ 7.27477805e-32 -4.20009506e-32  4.83652946e-70]]
stress =  [ 1.64544908e-11  1.64544908e-11  2.24271839e-11  5.14602007e-34
  2.97105607e-34 -1.16073257e-27]
energy per atom =  -4.850000070355172
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0