1&FORCE_EVAL 2 METHOD FIST 3 &MM 4 &FORCEFIELD 5 &SPLINE 6 EPS_SPLINE 1.E-3 7 &END 8 &NONBONDED 9 &EAM 10 atoms Ag Ag 11 PARM_FILE_NAME ../EAM_LIB/Ag.pot 12 &END EAM 13 &EAM 14 atoms Pt Pt 15 PARM_FILE_NAME ../EAM_LIB/Pt.pot 16 &END EAM 17 &EAM 18 atoms Ag Pt 19 PARM_FILE_NAME ../EAM_LIB/PtAg.pot 20 &END EAM 21 &END NONBONDED 22 &END FORCEFIELD 23 &POISSON 24 &EWALD 25 EWALD_TYPE none 26 &END EWALD 27 &END POISSON 28 &END MM 29 &SUBSYS 30 &CELL 31 ABC 7.206 7.206 7.206 32 &END CELL 33 &COORD 34 Pt -3.602999926 -3.602999926 -3.602999926 35 Ag -1.801499963 -1.801499963 -3.602999926 36 Ag -1.801499963 -3.602999926 -1.801499963 37 Ag -3.602999926 -1.801499963 -1.801499963 38 Pt -3.602999926 -3.602999926 0.0000000000E+00 39 Ag -1.801499963 -1.801499963 0.0000000000E+00 40 Ag -1.801499963 -3.602999926 1.801499963 41 Ag -3.602999926 -1.801499963 1.801499963 42 Ag -3.602999926 0.0000000000E+00 -3.602999926 43 Ag -1.801499963 1.801499963 -3.602999926 44 Pt -1.801499963 0.0000000000E+00 -1.801499963 45 Ag -3.602999926 1.801499963 -1.801499963 46 Ag -3.602999926 0.0000000000E+00 0.0000000000E+00 47 Pt -1.801499963 1.801499963 0.0000000000E+00 48 Ag -1.801499963 0.0000000000E+00 1.801499963 49 Ag -3.602999926 1.801499963 1.801499963 50 Ag 0.0000000000E+00 -3.602999926 -3.602999926 51 Pt 1.801499963 -1.801499963 -3.602999926 52 Ag 1.801499963 -3.602999926 -1.801499963 53 Ag 0.0000000000E+00 -1.801499963 -1.801499963 54 Pt 0.0000000000E+00 -3.602999926 0.0000000000E+00 55 Ag 1.801499963 -1.801499963 0.0000000000E+00 56 Ag 1.801499963 -3.602999926 1.801499963 57 Pt 0.0000000000E+00 -1.801499963 1.801499963 58 Ag 0.0000000000E+00 0.0000000000E+00 -3.602999926 59 Ag 1.801499963 1.801499963 -3.602999926 60 Ag 1.801499963 0.0000000000E+00 -1.801499963 61 Ag 0.0000000000E+00 1.801499963 -1.801499963 62 Pt 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 63 Ag 1.801499963 1.801499963 0.0000000000E+00 64 Ag 1.801499963 0.0000000000E+00 1.801499963 65 Ag 0.0000000000E+00 1.801499963 1.801499963 66 &END COORD 67 &TOPOLOGY 68 &END TOPOLOGY 69 &END SUBSYS 70&END FORCE_EVAL 71&GLOBAL 72 PROJECT agpt 73 RUN_TYPE md 74&END GLOBAL 75&MOTION 76 &GEO_OPT 77 MINIMIZER BFGS 78 &END 79 &MD 80 ENSEMBLE NVE 81 STEPS 100 82 TIMESTEP 5. 83 TEMPERATURE 85.0 84 &END MD 85&END MOTION 86