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For the optimization of envelope characteristics also the shape of the building, an optimization–simulation technique is applied in this paper. To obtain the best values of all related variables for the minimization of energy consumption in residential buildings, an improved Manta-Ray Foraging Optimizer is considered as the optimization algorithm. Also, for whole-building energy simulation, RIUSKA is used. The optimization parameters are the area and type of the windows, foundation, wall and roof insulations, level of infiltration, orientation, and thermal mass. Various forms of the building including rectangle, trapezoid, T-shape, H-shape, cross, L-shape, and U-shape are studied. The model optimization process takes fewer computation time and expense. Moreover, the utilized technique implements fully proper in comparison to the particle swarm, approximating very close to the optimum in less than 50% of the simulations The lowest life cycle cost is achieved by the buildings with trapezoid and rectangle form for five various climatic conditions. Also, the minimum variation from the optimum to the worst is observed by trapezoid and rectangle. The change in the values of the life cycle cost is lower than 4.5%.