Model name?
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
Stoichiometric species (literal list of strings)?
['Al', 'Mg', 'Si']
Prototype label?
A2BC2_hP5_164_d_a_d
Temperature (K)?
No temperature given
Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)?
No stress given
Query result (literal list of dicts)?
[{'instance-id': 2, 'a.si-value': 3.9996e-10, 'parameter-names.source-value': ['c/a', 'z2', 'z3'], 'parameter-values.source-value': [1.8449345, 0.6014527, 0.21863687], 'meta.uuid': 'TE_581718459499_001-and-MO_262519520678_002-1711125295-tr'}]
Runtime arguments (literal dictonary)?
{}
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Mg', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.6014527 ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.21863687]]
spacegroup =  164
cell =  [[3.9996, 0, 0], [-1.9998, 3.4637552049762, 0], [0, 0, 7.379]]
=========================================

E L A S T I C  C O N S T A N T  C A L C U L A T I O N S



Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2))

Minimization converged after 1 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 2 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 1 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 0 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 2 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.

Summary of completed elastic constants calculation:

Method: energy-condensed
Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2))


Raw elastic constants [ASE units]:
[[ 0.48346  0.30021  0.22363 -0.09773  0.      -0.     ]
 [ 0.30021  0.46412  0.22364  0.09771  0.      -0.     ]
 [ 0.22363  0.22364  0.39344  0.       0.      -0.     ]
 [-0.09773  0.09771  0.       0.22981  0.       0.     ]
 [ 0.       0.       0.       0.       0.2298  -0.10565]
 [-0.      -0.      -0.       0.      -0.10565  0.08206]]


95%% Error estimate [ASE units]:
[[0.00031 0.00017 0.0001  0.00041 0.      0.     ]
 [0.00017 0.00035 0.0001  0.00034 0.      0.     ]
 [0.0001  0.0001  0.00021 0.      0.      0.     ]
 [0.00041 0.00034 0.      0.00005 0.      0.     ]
 [0.      0.      0.      0.      0.00004 0.00004]
 [0.      0.      0.      0.      0.00004 0.00005]]


Maximum deviation from material symmetry [ASE units]: 0.019348


WARNING: Maximum deviation from material symmetry according to space group 164 is too big
compared to maximum elastic constant component 0.483464 [ASE units] and requested fractional tolerance 0.010000.



Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2))

Minimization converged after 1 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 2 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 2 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 2 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 2 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 0 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.

Summary of completed elastic constants calculation:

Method: energy-condensed
Step generator: MaxStepGenerator(_base_step=0.001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2))


Raw elastic constants [ASE units]:
[[ 0.46409  0.29997  0.22374 -0.10554 -0.      -0.     ]
 [ 0.29997  0.46409  0.22374  0.10554  0.      -0.     ]
 [ 0.22374  0.22374  0.39343  0.       0.       0.     ]
 [-0.10554  0.10554  0.       0.2298   0.       0.     ]
 [-0.       0.       0.       0.       0.2298  -0.10554]
 [-0.      -0.       0.       0.      -0.10554  0.08206]]


95%% Error estimate [ASE units]:
[[0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]]


Maximum deviation from material symmetry [ASE units]: 0.000001



R E S U L T S

Elastic constants [GPa]:
[[ 74.35525  48.06041  35.84664 -16.90999  -0.       -0.     ]
 [ 48.06041  74.35514  35.84664  16.90996   0.       -0.     ]
 [ 35.84664  35.84664  63.03469   0.00001   0.        0.     ]
 [-16.90999  16.90996   0.00001  36.81773   0.        0.     ]
 [ -0.        0.        0.        0.       36.81772 -16.90998]
 [ -0.       -0.        0.        0.      -16.90998  13.1474 ]]

95 %% Error estimate [GPa]:
[[0.0005  0.0001  0.00029 0.00065 0.      0.     ]
 [0.0001  0.00029 0.00061 0.0006  0.      0.     ]
 [0.00029 0.00061 0.00051 0.00003 0.      0.     ]
 [0.00065 0.0006  0.00003 0.00002 0.      0.     ]
 [0.      0.      0.      0.      0.00001 0.     ]
 [0.      0.      0.      0.      0.      0.00013]]

Maximum deviation from material symmetry [GPa] = 0.00011

Bulk modulus [GPa] = 48.96806

Unique elastic constants for space group 164 [GPa]
['c11', 'c12', 'c13', 'c14', 'c33', 'c44']
[74.35524908785322, 48.06041127513865, 35.84663814424978, -16.909992038671867, 63.034686605950085, 36.817725801326866]

Nearest matrix of isotropic elastic constants:
Distance to isotropic state [-]  = 2.36732
Isotropic bulk modulus      [GPa] = 49.81709
Isotropic shear modulus     [GPa] = 14.65407