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:
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_002
==== 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 09:49:47       -9.707241        0.6663
BFGS:    1 09:49:47       -9.723322        0.5132
BFGS:    2 09:49:47       -9.745155        0.0601
BFGS:    3 09:49:47       -9.745382        0.0060
BFGS:    4 09:49:47       -9.745383        0.0039
BFGS:    5 09:49:47       -9.745384        0.0041
BFGS:    6 09:49:47       -9.745385        0.0026
BFGS:    7 09:49:47       -9.745385        0.0009
BFGS:    8 09:49:47       -9.745385        0.0001
BFGS:    9 09:49:47       -9.745385        0.0000
BFGS:   10 09:49:47       -9.745385        0.0000
BFGS:   11 09:49:47       -9.745385        0.0000
BFGS:   12 09:49:47       -9.745385        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.6200217450443274e-33 eV/Angstrom
Maximum stress component: 2.8323441533688803e-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([[2.945337389203351, 1.7117425047658613e-18, 6.735599060554392e-37], [-1.4726686946016756, 2.550737001766237, -1.545084694495619e-38], [1.8922611210951794e-37, -1.6020787935320712e-37, 4.687408041076873]])
forces =  [[ 1.51267026e-33 -2.62002175e-33  1.58705327e-71]
 [-1.51267026e-33  2.62002175e-33 -1.58705327e-71]]
stress =  [ 1.60967816e-11  1.60967816e-11  2.83234415e-11  6.87275334e-34
 -3.08754004e-47  7.97941698e-27]
energy per atom =  -4.8726927261512145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0