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_ZhouJohnsonWadley_2004_Ti__MO_723456820410_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 13:54:06       -9.717569        0.5186
BFGS:    1 13:54:06       -9.725948        0.4150
BFGS:    2 13:54:06       -9.738535        0.1566
BFGS:    3 13:54:06       -9.738860        0.1204
BFGS:    4 13:54:06       -9.739663        0.0517
BFGS:    5 13:54:06       -9.739991        0.0274
BFGS:    6 13:54:06       -9.740046        0.0065
BFGS:    7 13:54:06       -9.740048        0.0012
BFGS:    8 13:54:06       -9.740048        0.0000
BFGS:    9 13:54:06       -9.740048        0.0000
BFGS:   10 13:54:06       -9.740048        0.0000
Minimization converged after 10 steps.
Maximum force component: 1.8122439914633913e-32 eV/Angstrom
Maximum stress component: 3.7389385033231834e-10 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([[2.94053399492937, -1.3431997946473371e-18, 2.152477520351261e-37], [-1.470266997464685, 2.5465771403005766, -1.0569167323105463e-36], [-5.841705990148895e-36, -1.6295829759671737e-35, 4.772173364003109]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.81224399e-32  1.04629956e-32 -5.22687931e-69]]
stress =  [-2.92229785e-10 -2.92229785e-10 -3.73893850e-10  1.01425559e-33
 -1.11165396e-45 -1.90341973e-25]
energy per atom =  -4.870024196692562
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0