element(s):
['Ti']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2228']
model name:
EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:51      -20.777954         0.078073
BFGS:    1 15:17:51      -20.778196         0.066698
BFGS:    2 15:17:51      -20.778921         0.009929
BFGS:    3 15:17:52      -20.778940         0.001675
BFGS:    4 15:17:52      -20.778941         0.000059
BFGS:    5 15:17:52      -20.778941         0.000000
BFGS:    6 15:17:52      -20.778941         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.3455989206656986e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.85694946e-36]]
cellpar =  Cell([[4.213256938791695, 1.2054067977800588e-33, -1.1503750310863493e-35], [-9.933449860587648e-34, 4.213256938791695, -1.3397588064637607e-19], [1.480323982980621e-35, -1.3397588064637586e-19, 4.213256938791695]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.34559892e-12  4.34559892e-12  4.34559892e-12 -1.94845865e-30
  1.65727229e-63  1.86136028e-62]
energy per atom =  -5.19473523459307
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0