Zinc Phosphates Final Structures (Mechanochemical ionization – differentiating pressure-, shear-, and temperature-induced reactions in a model phosphate)

Final optimized structures of zinc-containing phosphates after releasing the stresses. The The following files are included:
- initial.xyz contains the initial configuration at 0.5 GPa (decompressed to zero stress);
- iso.xyz contains the configuration after the isotropic compression (decompressed to zero stress);
- zUni.xyz contains the configuration after a uniaxial compression along z-axis (decompressed to zero stress);
- zVol.xyz contains the configuration after a volume-conserving deformation, the main axis is chosen to be z-axis (decompressed to zero stress).