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 14:12:21       -9.689524         0.455461
BFGS:    1 14:12:21       -9.696944         0.339834
BFGS:    2 14:12:21       -9.705596         0.034557
BFGS:    3 14:12:21       -9.705649         0.004185
BFGS:    4 14:12:21       -9.705650         0.004719
BFGS:    5 14:12:21       -9.705652         0.004121
BFGS:    6 14:12:21       -9.705652         0.001914
BFGS:    7 14:12:21       -9.705652         0.000309
BFGS:    8 14:12:21       -9.705653         0.000038
BFGS:    9 14:12:21       -9.705653         0.000002
BFGS:   10 14:12:21       -9.705653         0.000000
BFGS:   11 14:12:21       -9.705653         0.000000
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, -1.2350743059443883e-38], [-1.4832992231722852, 2.5691496173618447, -2.1731211872211474e-38], [-8.302006431539429e-38, -1.255733537785477e-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 -2.53984037e-33
 -2.45937118e-46 -4.19774908e-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