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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:14:18      -17.677881        20.272758
BFGS:    1 15:14:18      -19.104818         9.472146
BFGS:    2 15:14:18      -19.591641         2.859720
BFGS:    3 15:14:18      -19.652533         0.711301
BFGS:    4 15:14:18      -19.656358         0.069452
BFGS:    5 15:14:18      -19.656393         0.002685
BFGS:    6 15:14:18      -19.656393         0.000176
BFGS:    7 15:14:18      -19.656393         0.000015
BFGS:    8 15:14:18      -19.656393         0.000000
BFGS:    9 15:14:18      -19.656393         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.3410320126597697e-31 eV/Angstrom
Maximum stress component: 3.7172431776170406e-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([[3.1122066040970826, 1.5300268888945172e-17, 3.383297453003668e-37], [-1.5561033020485413, 2.695249980973773, 8.426366541483416e-37], [-4.207539393624029e-35, -1.6413011750404512e-34, 5.082313483475864]])
forces =  [[ 1.15082724e-31 -2.21476806e-32 -3.34103201e-31]
 [-1.15082724e-31  2.21476806e-32  3.34103201e-31]]
stress =  [-2.28694740e-11 -2.28694740e-11  3.71724318e-10  7.19863155e-33
  2.33743515e-45 -3.44126984e-27]
energy per atom =  -9.82819633328266
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0