Model name?
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
Stoichiometric species (literal list of strings)?
['Al', 'Mg']
Prototype label?
A14B13_cI54_229_ef_ah
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': 1.0333e-09, 'parameter-names.source-value': ['x2', 'x3', 'y4'], 'parameter-values.source-value': [0.30471227, 0.32988662, 0.67005273], 'meta.uuid': 'TE_600340390354_002-and-MO_262519520678_002-1710528003-tr'}]
Runtime arguments (literal dictonary)?
{}
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Mg', 'Mg']
representative atom coordinates =  [[0.30471227 0.         0.        ]
 [0.32988662 0.32988662 0.32988662]
 [0.         0.         0.        ]
 [0.         0.67005273 0.67005273]]
spacegroup =  229
cell =  [[10.333, 0, 0], [0, 10.333, 0], [0, 0, 10.333]]
=========================================

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 8 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 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 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 7 steps.
Minimization converged after 8 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 6 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 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 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 6 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 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 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 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 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 7 steps.
Minimization converged after 7 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 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 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 5 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 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 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 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 7 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 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 9 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 7 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 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 9 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 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 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 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 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 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 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 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 6 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 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 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 6 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 5 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 6 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 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 6 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 6 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 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 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 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 6 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 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 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 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 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 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 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 1 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 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 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 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 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 6 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 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 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 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 4 steps.
Minimization converged after 4 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 1 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization 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]:
[[ 0.27078  0.24807  0.24809 -0.       0.       0.     ]
 [ 0.24807  0.27078  0.24808  0.       0.      -0.     ]
 [ 0.24809  0.24808  0.27078  0.       0.       0.     ]
 [-0.       0.       0.       0.18919  0.      -0.     ]
 [ 0.       0.       0.       0.       0.20313 -0.     ]
 [ 0.      -0.       0.      -0.      -0.       0.18919]]


95%% Error estimate [ASE units]:
[[0.00018 0.00028 0.00038 0.      0.      0.     ]
 [0.00028 0.00018 0.00031 0.      0.      0.     ]
 [0.00038 0.00031 0.00019 0.      0.      0.     ]
 [0.      0.      0.      0.00055 0.      0.     ]
 [0.      0.      0.      0.      0.00052 0.     ]
 [0.      0.      0.      0.      0.      0.00055]]


Maximum deviation from material symmetry [ASE units]: 0.013940


WARNING: Maximum deviation from material symmetry according to space group 229 is too big
compared to maximum elastic constant component 0.270781 [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 12 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 16 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 14 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 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 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 8 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 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 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 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 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 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 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 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 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 12 steps.
Minimization converged after 12 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 12 steps.
Minimization converged after 12 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 8 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 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 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 8 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 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 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 7 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 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 7 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 7 steps.
Minimization converged after 8 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 5 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 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 8 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 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 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 8 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 9 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 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 6 steps.
Minimization converged after 6 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 8 steps.
Minimization converged after 7 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 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 6 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 8 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 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 6 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 8 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 6 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 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 6 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 6 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 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 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 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 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 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 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 4 steps.
Minimization converged after 4 steps.
Minimization converged after 6 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 5 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 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 6 steps.
Minimization converged after 6 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 1 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 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 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 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 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 6 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 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 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 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 4 steps.
Minimization converged after 4 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 1 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 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 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 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 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 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 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 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 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 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 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 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 1 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 1 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 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 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 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]:
[[ 0.27073  0.24813  0.24813 -0.      -0.      -0.     ]
 [ 0.24813  0.27073  0.24813  0.      -0.      -0.     ]
 [ 0.24813  0.24813  0.27073  0.       0.       0.     ]
 [-0.       0.       0.       0.18862  0.       0.     ]
 [-0.      -0.       0.       0.       0.18862 -0.     ]
 [-0.      -0.       0.       0.      -0.       0.18862]]


95%% Error estimate [ASE units]:
[[0.00002 0.00001 0.00001 0.      0.      0.     ]
 [0.00001 0.00002 0.00001 0.      0.      0.     ]
 [0.00001 0.00001 0.00002 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]: 0.000000



R E S U L T S

Elastic constants [GPa]:
[[43.37637 39.75516 39.75517 -0.      -0.      -0.     ]
 [39.75516 43.37637 39.75518  0.      -0.      -0.     ]
 [39.75517 39.75518 43.37637  0.       0.       0.     ]
 [-0.       0.       0.      30.22058  0.       0.     ]
 [-0.      -0.       0.       0.      30.2206  -0.     ]
 [-0.      -0.       0.       0.      -0.      30.22056]]

95 %% Error estimate [GPa]:
[[0.00243 0.00194 0.00192 0.00003 0.      0.00001]
 [0.00194 0.00244 0.00187 0.00001 0.      0.00001]
 [0.00192 0.00187 0.00243 0.00002 0.      0.     ]
 [0.00003 0.00001 0.00002 0.00039 0.00008 0.00003]
 [0.      0.      0.      0.00008 0.00038 0.     ]
 [0.00001 0.00001 0.      0.00003 0.      0.00041]]

Maximum deviation from material symmetry [GPa] = 0.00002

Bulk modulus [GPa] = 40.96224

Unique elastic constants for space group 229 [GPa]
['c11', 'c12', 'c44']
[43.37637298386583, 39.755164681518856, 30.220578187949815]

Nearest matrix of isotropic elastic constants:
Distance to isotropic state [-]  = 3.08353
Isotropic bulk modulus      [GPa] = 40.96224
Isotropic shear modulus     [GPa] = 9.80191