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_2016pot1_Ti__MO_143373446649_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 10:09:37      -21.145005         0.052649
BFGS:    1 10:09:37      -21.145121         0.049979
BFGS:    2 10:09:37      -21.146425         0.016548
BFGS:    3 10:09:37      -21.146683         0.008898
BFGS:    4 10:09:38      -21.146835         0.004056
BFGS:    5 10:09:38      -21.146887         0.001017
BFGS:    6 10:09:38      -21.146890         0.000196
BFGS:    7 10:09:38      -21.146890         0.000014
BFGS:    8 10:09:38      -21.146890         0.000000
BFGS:    9 10:09:38      -21.146890         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0648422888043662e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.27224321e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.60527290e-35]]
cellpar =  Cell([[4.182010457576927, 3.0575668516044828e-33, 5.630058606332878e-33], [1.6425386064610053e-32, 4.182010457576927, 1.7518488497582737e-18], [-6.82827024455628e-33, 1.751848849758282e-18, 4.182010457576927]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.06484229e-11 -1.06484229e-11 -1.06484229e-11  2.19952136e-29
 -9.17675233e-37  8.20067495e-54]
energy per atom =  -5.286722472720394
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0