---------------------------------------------------------------------------------------------------- ------------------------------------ NCrystal Material Info ------------------------------------ ---------------------------------------------------------------------------------------------------- Data source: stdlib::Polycarbonate_C16O3H14.ncmat ---------------------------------------------------------------------------------------------------- Density : 1.239 g/cm3, 0.0968308 atoms/Aa^3 ---------------------------------------------------------------------------------------------------- Composition (by mole): 42.4242% H 48.4848% C 9.09091% O ---------------------------------------------------------------------------------------------------- Composition (by mass): 5.54952% H 75.5749% C 18.8756% O ---------------------------------------------------------------------------------------------------- Atom data: H = H(cohSL=-3.739fm cohXS=1.75679barn incXS=80.26barn absXS=0.3326barn mass=1.00798u Z=1) C = C(cohSL=6.646fm cohXS=5.55048barn incXS=0.001barn absXS=0.0035barn mass=12.011u Z=6) O = O(cohSL=5.803fm cohXS=4.2317barn incXS=0.0008barn absXS=0.00019barn mass=15.9993u Z=8) ---------------------------------------------------------------------------------------------------- Averaged quantities: Atomic mass : 7.70564u Absorption XS at 2200m/s : 0.142817 barn Free scattering XS : 11.324 barn Scattering length density : 2.09504 10^-6/Aa^2 ---------------------------------------------------------------------------------------------------- Temperature : 293.15 kelvin ---------------------------------------------------------------------------------------------------- State of matter: Solid (amorphous) ---------------------------------------------------------------------------------------------------- Dynamic info for H (42.4242%): type: S(alpha,beta) [from VDOS] VDOS Source: 2025 points VDOS E_max: 433.077 meV Dynamic info for C (48.4848%): type: S(alpha,beta) [from VDOSDebye] VDOS E_max: 34.4693 meV Dynamic info for O (9.09091%): type: S(alpha,beta) [from VDOSDebye] VDOS E_max: 34.4693 meV ----------------------------------------------------------------------------------------------------