element(s):
['Hg', 'Te']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8004']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg', 'Te']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.8004, 0, 0], [0, 3.8004, 0], [0, 0, 3.8004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:41       -4.454970         4.143731
BFGS:    1 12:33:41       -5.123059         4.776928
BFGS:    2 12:33:41       -5.893594         5.498330
BFGS:    3 12:33:41       -6.775750         6.272630
BFGS:    4 12:33:41       -7.778715         7.099233
BFGS:    5 12:33:41       -8.903116         7.879947
BFGS:    6 12:33:41      -10.139310         8.574194
BFGS:    7 12:33:41      -11.451361         8.829449
BFGS:    8 12:33:41      -12.753149         8.329900
BFGS:    9 12:33:41      -13.874326         6.300928
BFGS:   10 12:33:41      -14.499920         1.404125
BFGS:   11 12:33:41      -14.514479         0.804724
BFGS:   12 12:33:41      -14.520249         0.057754
BFGS:   13 12:33:41      -14.520280         0.001955
BFGS:   14 12:33:41      -14.520280         0.000005
BFGS:   15 12:33:41      -14.520280         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8207585254478697e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Te']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8322939693916167, 5.274068210389288e-33, 2.3554325145703873e-34], [3.584748715858064e-33, 2.8322939693916167, -8.45092351924819e-18], [5.756847263299126e-34, -8.45092351924819e-18, 2.8322939693916167]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.82075853e-11  2.82075853e-11  2.82075853e-11  2.57382383e-29
 -3.58525945e-33 -4.54120492e-50]
energy per atom =  -7.260139965705262
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0