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_001
==== 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 10:19:19       -9.707241         0.666265
BFGS:    1 10:19:19       -9.723322         0.513188
BFGS:    2 10:19:19       -9.745155         0.060116
BFGS:    3 10:19:19       -9.745382         0.005966
BFGS:    4 10:19:19       -9.745383         0.003915
BFGS:    5 10:19:19       -9.745384         0.004065
BFGS:    6 10:19:19       -9.745385         0.002571
BFGS:    7 10:19:19       -9.745385         0.000898
BFGS:    8 10:19:19       -9.745385         0.000117
BFGS:    9 10:19:19       -9.745385         0.000009
BFGS:   10 10:19:19       -9.745385         0.000001
BFGS:   11 10:19:19       -9.745385         0.000000
BFGS:   12 10:19:19       -9.745385         0.000000
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