element(s):
['He']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.292']
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 =  229
cell =  [[3.292, 0, 0], [0, 3.292, 0], [0, 0, 3.292]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:59:58       -0.013599         0.000187
BFGS:    1 16:59:58       -0.013599         0.000187
BFGS:    2 16:59:58       -0.013597         0.000000
BFGS:    3 16:59:58       -0.013597         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.03365774367464e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He', 'He']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.295732937970032, -9.537200858312416e-33, -1.0771379579652314e-35], [-9.974777301036745e-33, 3.295732937970032, 8.300374612111058e-19], [-9.407508907362245e-34, 8.300374612111061e-19, 3.295732937970032]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.03365774e-11 -6.03365774e-11 -6.03365774e-11  1.15902516e-28
  5.22024357e-54 -7.62176079e-59]
energy per atom =  -0.006798679766984337
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0