element(s):
['He']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1026']
model name:
Sim_LAMMPS_Hybrid_DuanXieGuo_2019_TaHe__SM_016305073020_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['He']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.1026, 0, 0], [0, 4.1026, 0], [0, 0, 4.1026]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:22:07       -0.028268         0.001033
BFGS:    1 15:22:07       -0.028268         0.001032
BFGS:    2 15:22:07       -0.028287         0.000030
BFGS:    3 15:22:07       -0.028287         0.000002
BFGS:    4 15:22:07       -0.028287         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.390648793784192e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He', 'He', 'He', 'He']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.125881059351404, 9.958339785483123e-34, 6.023468169442736e-38], [-1.4493782190265757e-44, 4.125881059351404, 2.8163296158719237e-24], [-1.3769011877899957e-42, 2.8163296158723653e-24, 4.125881059351404]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.39064879e-11  7.39064879e-11  7.39064879e-11  8.65778645e-31
 -1.25217429e-37 -1.42976374e-57]
energy per atom =  -0.007071737875893542
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0