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_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_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 11:19:29      -10.485661         0.151225
BFGS:    1 11:19:29      -10.486482         0.123325
BFGS:    2 11:19:29      -10.488929         0.065519
BFGS:    3 11:19:29      -10.491014         0.075083
BFGS:    4 11:19:29      -10.346924         3.747008
BFGS:    5 11:19:29      -10.491213         0.075586
BFGS:    6 11:19:29      -10.491412         0.075637
BFGS:    7 11:19:29      -10.356253         3.555249
BFGS:    8 11:19:29      -10.491615         0.074769
BFGS:    9 11:19:30      -10.491811         0.073236
BFGS:   10 11:19:30      -10.356652         3.555593
BFGS:   11 11:19:30      -10.491998         0.070756
BFGS:   12 11:19:30      -10.492170         0.067577
BFGS:   13 11:19:30      -10.483712         0.587767
BFGS:   14 11:19:30      -10.492558         0.055352
BFGS:   15 11:19:30      -10.492792         0.043346
BFGS:   16 11:19:30      -10.492907         0.039066
BFGS:   17 11:19:30      -10.492999         0.012080
BFGS:   18 11:19:30      -10.493004         0.005572
BFGS:   19 11:19:31      -10.493005         0.003835
BFGS:   20 11:19:31      -10.493006         0.002391
BFGS:   21 11:19:31      -10.493006         0.002098
BFGS:   22 11:19:31      -10.493007         0.000876
BFGS:   23 11:19:31      -10.493007         0.000211
BFGS:   24 11:19:31      -10.493007         0.000022
BFGS:   25 11:19:31      -10.493007         0.000001
BFGS:   26 11:19:31      -10.493007         0.000000
BFGS:   27 11:19:31      -10.493007         0.000000
Minimization converged after 27 steps.
Maximum force component: 3.6345361771317136e-32 eV/Angstrom
Maximum stress component: 3.421305477743913e-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([[2.948686058555028, 4.5244593793266766e-17, -8.000624642237946e-37], [-1.474343029277514, 2.553637034493665, -7.440504811529625e-36], [3.8961681514632476e-36, 1.929690354504435e-34, 4.698304847093506]])
forces =  [[-3.63453618e-32  2.09840044e-32 -5.45665142e-68]
 [ 3.63453618e-32 -2.09840044e-32  5.45665142e-68]]
stress =  [2.28347631e-11 2.28347631e-11 3.42130548e-11 2.56838490e-34
 1.48285771e-34 7.06732263e-27]
energy per atom =  -5.246503410915826
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0