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 10:09:38      -20.777954         0.078073
BFGS:    1 10:09:38      -20.778196         0.066698
BFGS:    2 10:09:38      -20.778921         0.009929
BFGS:    3 10:09:38      -20.778940         0.001675
BFGS:    4 10:09:38      -20.778941         0.000059
BFGS:    5 10:09:38      -20.778941         0.000000
BFGS:    6 10:09:38      -20.778941         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.345598920665699e-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, 1.266355052400926e-33, 3.7209036524136303e-36], [-9.323967316393777e-34, 4.213256938791695, -1.3397588064637607e-19], [2.2812419860909774e-34, -1.3397588064637564e-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 -1.28054838e-27
  3.53312237e-62 -6.96356171e-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