element(s):
['Co', 'Ti']
AFLOW prototype label:
A3B_hP8_194_h_c
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2544', '0.89776188', '0.83505739']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.83505739 0.67011478 0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.2544, 0, 0], [-2.6272, 4.550443881645, 0], [0, 0, 4.7172]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:18      -71.730306         7.727172
BFGS:    1 15:18:18      -72.448535         7.652074
BFGS:    2 15:18:18      -73.038341         7.492660
BFGS:    3 15:18:18      -73.568308         7.285476
BFGS:    4 15:18:18      -74.059499         7.039236
BFGS:    5 15:18:18      -74.520281         6.755854
BFGS:    6 15:18:18      -74.954722         6.444705
BFGS:    7 15:18:18      -75.364262         6.101253
BFGS:    8 15:18:18      -75.749215         5.712479
BFGS:    9 15:18:18      -76.109735         5.281901
BFGS:   10 15:18:18      -76.445147         4.816828
BFGS:   11 15:18:18      -76.754598         4.324734
BFGS:   12 15:18:18      -77.036891         3.801920
BFGS:   13 15:18:18      -77.290205         3.240587
BFGS:   14 15:18:18      -77.513376         2.661708
BFGS:   15 15:18:18      -77.704879         2.047139
BFGS:   16 15:18:18      -77.863127         1.419441
BFGS:   17 15:18:18      -77.985546         1.023272
BFGS:   18 15:18:18      -78.069069         0.775760
BFGS:   19 15:18:18      -78.110261         0.416382
BFGS:   20 15:18:18      -78.115822         0.334778
BFGS:   21 15:18:18      -78.118911         0.105072
BFGS:   22 15:18:18      -78.119156         0.019145
BFGS:   23 15:18:18      -78.119169         0.005298
BFGS:   24 15:18:18      -78.119170         0.000655
BFGS:   25 15:18:18      -78.119170         0.000015
BFGS:   26 15:18:18      -78.119170         0.000001
BFGS:   27 15:18:18      -78.119170         0.000000
BFGS:   28 15:18:18      -78.119170         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.790906924969644e-12 eV/Angstrom
Maximum stress component: 1.1717323932444532e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Ti', 'Ti']
basis =  [[0.85102998 0.70205997 0.25      ]
 [0.29794005 0.14897003 0.25      ]
 [0.85102998 0.14897003 0.25      ]
 [0.14897003 0.29794005 0.75      ]
 [0.70205996 0.85102999 0.75      ]
 [0.14897003 0.85102999 0.75      ]
 [0.33333334 0.66666668 0.25      ]
 [0.66666667 0.33333334 0.75      ]]
cellpar =  Cell([[5.485849531730884, -1.6533079952107516e-17, -2.642156032415783e-37], [-2.742924765865442, 4.750885055817913, 1.8841614483985528e-36], [1.9084477070093884e-36, 1.3152024594547118e-35, 4.158932846397492]])
forces =  [[ 9.93836024e-28  4.79090692e-12  1.09360651e-30]
 [-4.14904710e-12 -2.39545346e-12 -5.46803255e-31]
 [ 4.14904710e-12 -2.39545346e-12  2.73401627e-31]
 [-9.93836024e-28 -4.79090692e-12 -1.09360651e-30]
 [ 4.14904710e-12  2.39545346e-12  5.46803255e-31]
 [-4.14904710e-12  2.39545346e-12  1.08323758e-48]
 [ 7.66340915e-30 -3.59162967e-30 -1.69363167e-66]
 [-6.76183161e-30  4.21626092e-30  1.88056333e-66]]
stress =  [ 8.64328032e-12  8.64328032e-12  1.17173239e-11  2.49530720e-33
 -1.44066628e-33 -1.10547970e-27]
energy per atom =  -9.764896226954527
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0