In this paper, we studied the effect of the 2D epoxy thin films’ shape with equilateral triangle and square structures, and matrix size Lx × Ly of (10 × 9), (20 × 19), (30 × 29), and (40 × 39) with equilateral triangle structure and (10 × 10), (20 × 20), (30 × 30), and (40 × 40) with the square structure on their mechanical properties [such as strain (ɛ), stress (σ), Young stress (E), and shear strain (G)] by using the Monte Carlo simulation method. The results show that when the shape of the 2D epoxy thin film is changed from an equilateral triangle structure to a square structure, the values of σ, E, and G decreased sharply. In addition, when the matrix size is increased from (10 × 9) to (20 × 19), (30 × 29), and (40 × 39) with an equilateral triangle structure and from (10 × 10) to (20 × 20), (30 × 30), and (40 × 40) with a square structure, σ slightly increased, but E and G decreased slightly. These results prove that the influence of structure shape on the mechanical properties of the 2D epoxy thin film is very large. The strain stress on the epoxy 2D thin film with an equilateral triangle structure and with a matrix size of (30 × 29) has a value of σ = 63.3 MPa. This result is consistent with the experimental result that σ of bulk epoxy has the maximum value of σmax = 64.76 MPa. The results are the basis for experimental research in future studies on practical applications of epoxy-thin films. In these cases, when thin films with equilateral triangle structures are used in biomedical fields, high stresses are required (such as replacement material for adaxial onion epidermis and fibrin and collagen with low stress).