element(s):
['Co', 'Ti']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['3.6462']
Parameter values for parameter set 1:
['3.8418']
model name:
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6462, 0, 0], [0, 3.6462, 0], [0, 0, 3.6462]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:32      -19.376708        0.4543
BFGS:    1 15:45:32      -19.384948        0.3921
BFGS:    2 15:45:32      -19.407933        0.0249
BFGS:    3 15:45:32      -19.408020        0.0012
BFGS:    4 15:45:32      -19.408020        0.0000
BFGS:    5 15:45:32      -19.408020        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.532521138876482e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ti']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.21795077e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.21795077e-16]
 [0.00000000e+00 1.21795077e-16 1.21795077e-16]]
cellpar =  Cell([[3.6051041164112316, -3.465892064669866e-33, 1.1863027507650314e-34], [-1.9327947428479183e-33, 3.6051041164112316, -6.830153357201639e-20], [-1.4675308938561989e-34, -6.830153357201686e-20, 3.6051041164112316]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.53252114e-11 -4.53252114e-11 -4.53252114e-11 -1.66308672e-28
 -7.90321124e-35 -2.14702675e-52]
energy per atom =  -4.8520049706454875
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.8418, 0, 0], [0, 3.8418, 0], [0, 0, 3.8418]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:33      -18.538763        2.1009
BFGS:    1 15:45:33      -18.719942        1.9205
BFGS:    2 15:45:33      -18.983053        1.5787
BFGS:    3 15:45:33      -19.190743        1.1806
BFGS:    4 15:45:33      -19.334109        0.7200
BFGS:    5 15:45:33      -19.403295        0.1903
BFGS:    6 15:45:33      -19.407978        0.0183
BFGS:    7 15:45:33      -19.408020        0.0004
BFGS:    8 15:45:33      -19.408020        0.0000
BFGS:    9 15:45:33      -19.408020        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0194301286380614e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ti']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [8.42855457e-65 1.00000000e+00 1.00000000e+00]]
cellpar =  Cell([[3.6051041164540623, 1.8668843123498805e-32, 2.1785567062952e-33], [1.8921978379370802e-32, 3.6051041164540623, 6.746523428783661e-18], [-8.918647535556135e-33, 6.7465234287836685e-18, 3.6051041164540623]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.01943013e-12 -3.01943013e-12 -3.01943013e-12 -5.62768434e-29
 -7.90321124e-35 -6.53108590e-52]
energy per atom =  -4.852004970645486
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0