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__SM_016305073020_000
==== 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 15:15:07      -31.425184         0.394500
BFGS:    1 15:15:07      -31.431306         0.329992
BFGS:    2 15:15:07      -31.446281         0.022289
BFGS:    3 15:15:07      -31.446355         0.001359
BFGS:    4 15:15:07      -31.446355         0.000006
BFGS:    5 15:15:07      -31.446355         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.263332783885494e-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([[4.140231167693454, 6.233728482762976e-33, -1.0904930229516202e-34], [4.46706349385518e-33, 4.140231167693454, -8.12963447413634e-19], [1.2837072979949394e-32, -8.129634474136313e-19, 4.140231167693454]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.26333278e-11 -9.26333278e-11 -9.26333278e-11 -1.24807532e-26
 -2.43435217e-35  3.65603215e-52]
energy per atom =  -7.861588867863569
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0