To relax 0) one pt-defect 1) all pt-defects 2) a user defined configuration: 1 CONST_H or CONST_S mode: CONST_S Default number of atoms in corresponding perfect(3C) state: 216 Default lattice parameter(3C) in angstrom (equilibrium=4.28533): 4.30 Default stress (11,22,33,12,13,23), in MBar: -0. -0. -0. 0. 0. 0. Default name of configurational file that could be read in: config Default name of user defined defect: perfect Default index of the point defect that could be relaxed: (0.perfect 1.Vc 2.VSi 3.C_si 4.Si_c 5.CTc 6.CTsi 7.SiTsi 8.SiTc 9.antisite pair) 3 Write on configurational file: config.opt Give the initial configuration a perturbation: 0.00001 Random number generator seed: 0.45321 Minimization tolerance: 0.000001 Print out the position of atoms around particle i (-1=NO,0=default) within radius R and save to XYZ file before (*.xyz.bef) and after optimization (*.xyz.opt): 0 4.5