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__SM_016305073020_000
==== 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 14:57:59      -15.696957        0.6486
BFGS:    1 14:57:59      -15.711395        0.4273
BFGS:    2 14:57:59      -15.723266        0.0476
BFGS:    3 14:57:59      -15.723408        0.0068
BFGS:    4 14:57:59      -15.723410        0.0067
BFGS:    5 14:57:59      -15.723411        0.0067
BFGS:    6 14:58:00      -15.723413        0.0041
BFGS:    7 14:58:00      -15.723414        0.0013
BFGS:    8 14:58:00      -15.723414        0.0002
BFGS:    9 14:58:00      -15.723414        0.0000
BFGS:   10 14:58:00      -15.723414        0.0000
BFGS:   11 14:58:00      -15.723414        0.0000
BFGS:   12 14:58:00      -15.723414        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.188944128688428e-11 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([[2.927772746576732, 4.3551655682655626e-18, 2.4980694551129517e-38], [-1.463886373288366, 2.535525575043189, -4.262108329584964e-37], [-4.4380041929067184e-38, 1.7635674236488563e-36, 4.779699515351462]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.18894413e-11 -2.18894413e-11 -9.79968900e-12  1.01707240e-33
 -5.87207024e-34  1.01773664e-27]
energy per atom =  -7.861706974684012
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0