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:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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 14:14:25       -9.707241         0.666265
BFGS:    1 14:14:25       -9.723322         0.513188
BFGS:    2 14:14:25       -9.745155         0.060116
BFGS:    3 14:14:25       -9.745382         0.005966
BFGS:    4 14:14:25       -9.745383         0.003915
BFGS:    5 14:14:25       -9.745384         0.004065
BFGS:    6 14:14:25       -9.745385         0.002571
BFGS:    7 14:14:25       -9.745385         0.000898
BFGS:    8 14:14:25       -9.745385         0.000117
BFGS:    9 14:14:25       -9.745385         0.000009
BFGS:   10 14:14:25       -9.745385         0.000001
BFGS:   11 14:14:25       -9.745385         0.000000
BFGS:   12 14:14:25       -9.745385         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.8517843235031e-32 eV/Angstrom
Maximum stress component: 2.832339137142512e-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([[2.9453373891479457, -6.026908153546359e-18, -1.8630018928092008e-37], [-1.4726686945739729, 2.5507370017182547, 1.095720803996931e-37], [4.245941929233066e-38, 1.1746929235687854e-38, 4.687408041252854]])
forces =  [[-3.63040862e-32  2.09601740e-32 -3.85178432e-32]
 [ 3.48901833e-70  9.65280545e-71  3.85178432e-32]]
stress =  [ 1.60966441e-11  1.60966441e-11  2.83233914e-11 -4.29547084e-35
 -7.43997373e-35 -5.81993110e-27]
energy per atom =  -4.872692726145389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0