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__SM_016305073020_000
==== 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 17:57:08      -16.177997        0.2100
BFGS:    1 17:57:08      -16.179439        0.1108
BFGS:    2 17:57:08      -16.180003        0.0017
BFGS:    3 17:57:08      -16.180003        0.0000
BFGS:    4 17:57:08      -16.180003        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0212270996067769e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He', 'He']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3025380702342995, -1.1357116304077623e-32, 5.308100547894238e-35], [-7.779667459711064e-33, 3.3025380702342995, 9.145903911143584e-22], [-3.165107959794511e-33, 9.145903911165165e-22, 3.3025380702342995]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.02122710e-10 -1.02122710e-10 -1.02122710e-10  4.51352593e-28
 -7.84975383e-59 -9.48852733e-59]
energy per atom =  -8.090001506074328
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0