
# Elements of stiffness matrix C (GPa) or Compliance matrix S (GPa^-1), non-zero elements or all elements
# Ref.: Journal of Modern Physics, 2018, 9, 775-805
Cfull
496.34       93.982        50.24            0            0            0
93.982       496.34        50.24            0            0            0
50.24        50.24         533.13           0            0            0
0            0             0                157.5        0            0
0            0             0                0            157.5        0
0            0             0                0            0            201.17

# External isostatic pressure of crystal (GPa), default:0 GPa
pressure 0.00

# density of crystal cell (g/cm^3), default: 1.0 (g/cm^3)
density 1.0

# volume of crystal cell (A^3), default: 1.0 (A^3)
volume 1.0

# total number of atoms in crystal cell
atomnum 1

# 3D mesh number of theta(θ), phi(φ), chi (χ)
nmesh3d 200.00 400.00 360.00

# 2D mesh number of theta(θ)
nmesh2d 400.00

# Precision control, Less than teps will be considered equal to 0
teps 1.0e-06

# properties — Pro(2*8)
#               Young   Compressibility  Shear   Poisson   Bulk   Pugh ratio     Hardness     Fracture Toughness
#    3D mode:    1/0         1/0          1/0      1/0      1/0      1/0          1/0              1/0
#    2D mode:    1/0         1/0          1/0      1/0      1/0      1/0          1/0              1/0
properties
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1

# Offline mode or Online mode to call Materials Project, the value is "yes" (default)/"no"
# Note: In offline mode, it's no need to provide x-api-key, both MPID and Pretty Formula are supported;
# In online mode, x-api-key must be provided, and only MPID query is supported
mponline no

# The Material ID for Materials Project, the value is "none"/"mp-xxxx"/"mvc-xxxx", such as "mp-7631","mvc-6281",and "none" (default).
mpid none

# The X-Api-Key for Materials Projec. tVelas provides offline mode and online mode to call API, the value is "none" or your personal access api
xapikey none

# Indicating which version of API to use, [New]: next-gen.materialsproject.org. [Legacy]: materialsproject.org
# "new" refers to new version api (default), "old"/"legacy" refers to legacy version api
mpapiver new

# The model of Vickers hardness, 'Hv M' for Mazhnik's model, 'Hv C' for Chen's model, 'Hv C' for Tian's model
Hv M

# The model and input parameters  of fracture toughness, Kic Model materials: Model -> M (Mazhnik's model)/ N (Niu's model); materials -> IC(ionic or covalent) / M (pure metals) / IM (intermetallics)
# Input parameters of fracture toughness, the order: V0 gEFr m n XA XB (Notes: If you want to calulate fracture toughness, all parameters should be provided!)
KIC M M 0.0 0.0 0.0 0.0 0.0 0.0

# Do you want to output the average value？ (avg yes or avg no), default: avgno.
avg no

# Colormap: 'jet','rainbow','hot', ocean','hsv','cool','spring','summer','autumn','winter','gray','bone','copper','pink','viridis','cubehelix'
cmap hot

# 3D Unit Spherical or not? (unitsph yes or unitsph no), default: No
unitsph no

# Map Projection or not? (default: Yes) % {'Gall-Peters' (GP),'Robinson' (R),'Hammer-Aitoff' (HA),'Mollweide' (M)};
map yes M

# line style
lstyle --

# print or not? (print yes or print no), default: No
print no

# dpi
dpi 600

# Plane to be calculated [XYZ coordinates]
planeXY
 1.00	 0.00	 0.00
 0.00	 1.00	 0.00
 0.00	 0.00	 1.00
