Currently quantum-mechanical methods, the calculations do not allow to calculate the coefficient of thermal expansion for stainless steel, because depending on temperature, phase and structural state of the alloy to change the alloy may be in a multiphase state (ferrite + austenite).
In the General case, the calculation of the coefficient of thermal expansion of stainless steel is quite a difficult procedure, since the coefficient of thermal expansion depends on temperature and chemical composition of the steel and in what condition ( in-phase with the BCC structutral, two-phase (BCC + FCC) condition) it is an alloy. Formulas for the thermodynamic calculation of the coefficient of thermal expansion published in my paper (Russian Metally, 1991, (published in Russian))