element(s):
['He']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8848', '1.635122']
model name:
Sim_LAMMPS_Hybrid_DuanXieGuo_2019_TaHe__SM_016305073020_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['He']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.8848, 0, 0], [-1.4424, 2.4983100848373, 0], [0, 0, 4.717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:59:48       -0.014147         0.002085
BFGS:    1 13:59:48       -0.014147         0.002082
BFGS:    2 13:59:48       -0.014196         0.000202
BFGS:    3 13:59:48       -0.014195         0.000048
BFGS:    4 13:59:48       -0.014195         0.000064
BFGS:    5 13:59:48       -0.014195         0.000064
BFGS:    6 13:59:48       -0.014195         0.000068
BFGS:    7 13:59:48       -0.014195         0.000071
BFGS:    8 13:59:48       -0.014195         0.000073
BFGS:    9 13:59:48       -0.014195         0.000067
BFGS:   10 13:59:48       -0.014195         0.000046
BFGS:   11 13:59:48       -0.014195         0.000017
BFGS:   12 13:59:48       -0.014195         0.000005
BFGS:   13 13:59:48       -0.014195         0.000001
BFGS:   14 13:59:48       -0.014195         0.000000
BFGS:   15 13:59:48       -0.014195         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.111308168432214e-34 eV/Angstrom
Maximum stress component: 2.219844216441012e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He', 'He']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.9174536155548614, 9.91678114561983e-19, -9.940277784063484e-40], [-1.4587268077774307, 2.5265889454332684, 4.471400283036155e-40], [-9.678649276140777e-39, -2.780349494796263e-38, 4.759758930673323]])
forces =  [[ 5.85292842e-36 -1.01375694e-35  6.11130817e-34]
 [ 6.43822126e-35 -7.09629857e-35 -6.11130817e-34]]
stress =  [-1.42185179e-10 -1.42185179e-10 -2.21984422e-10 -8.34103047e-36
 -1.15576709e-36 -6.21592188e-27]
energy per atom =  -0.007097484265503377
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0