The coefficient of lateral earth pressure at rest, K-0, is an essential parameter for analyzing earth pressure distribution and the safe reliability of structures in geotechnical engineering. This paper presents a series of numerical one-dimensional compression tests on granular soils with particle size distribution (PSD) and rolling resistance (RR) effects using a real-particle 3D discrete element model. The corresponding macro-micro behaviors are investigated in a parallel way. Both PSD and RR affect K-0 and the related compression characteristics. A higher coefficient of uniformity (C-u) or rolling resistance coefficient (mu(r)) results in a monotonic decrease in the mean coordination number, and too much consideration of RR makes the mean coordination number less realistic in a particle system. The influence of PSD is more sensitive to the local-ordering structure and contact force network than the RR. The inhomogeneity of normal contact forces enhances as C-u increases and slightly reduces as mu(r) increases. The strong contacts are much more anisotropic than the weak ones. Specimen with lower C-u or higher mu(r) induces higher anisotropy and more strong contacts during compression, in which a lower K-0 is measured. A unique macro-micro relationship exists between K-0 and deviatoric fabric when strong contacts are considered only.