element(s):
['He']
AFLOW prototype label:
A_hP1_191_a
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:
['2.8028', '0.97641644']
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 =  191
cell =  [[2.8028, 0, 0], [-1.4014, 2.427296001727, 0], [0, 0, 2.7367]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:52:48       -0.005385         0.005789
BFGS:    1 17:52:48       -0.005387         0.005770
BFGS:    2 17:52:48       -0.005607         0.001414
BFGS:    3 17:52:48       -0.005535         0.000812
BFGS:    4 17:52:48       -0.005536         0.000387
BFGS:    5 17:52:48       -0.005536         0.000444
BFGS:    6 17:52:48       -0.005536         0.000447
BFGS:    7 17:52:48       -0.005536         0.000461
BFGS:    8 17:52:48       -0.005536         0.000453
BFGS:    9 17:52:48       -0.005537         0.000381
BFGS:   10 17:52:49       -0.005537         0.000226
BFGS:   11 17:52:49       -0.005537         0.000070
BFGS:   12 17:52:49       -0.005537         0.000023
BFGS:   13 17:52:49       -0.005537         0.000004
BFGS:   14 17:52:49       -0.005537         0.000000
BFGS:   15 17:52:49       -0.005537         0.000000
BFGS:   16 17:52:49       -0.005537         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2285989694680471e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.895721128754844, -2.1747752310965542e-17, 1.6122597531867905e-37], [-1.447860564377422, 2.507768059777045, 1.4079458710114236e-37], [4.5297949761058166e-36, 2.1206704227106293e-35, 2.833355827536249]])
forces =  [[0. 0. 0.]]
stress =  [1.22859897e-11 1.22859897e-11 3.42632472e-13 8.38213003e-38
 2.29235922e-38 1.29657231e-27]
energy per atom =  -0.005536634562178581
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0