搜索coord(i)，其中i为从1开始的自然数，即Movie中从第0帧开始的坐标。例如：

Coords(1)                       
        90        90         2
  -0.419804359339127053E+001   0.107411088060666460E+001  -0.711752872647873769E+001
  -0.325437861744139756E+001   0.984547310930026370E-002  -0.594978380612299063E+001
  -0.463835544960744794E+001   0.254559337069963609E+001  -0.610379270582774236E+001
   0.210438956375263420E+001   0.577306039840023821E+001   0.592315378557476446E+001
   0.304332077576031956E+001   0.712465866314695084E+001   0.674679091699290634E+001
   0.443579192685656265E+000   0.585611008212529160E+001   0.671157020148213146E+001
  -0.706725445265919383E+001  -0.498268055704938551E+001  -0.708229856233733912E+001
  -0.722342141959826733E+001  -0.314909252640787285E+001  -0.706332760177222152E+001
  -0.524865572963821325E+001  -0.526317071600146313E+001  -0.705374291086812022E+001
   0.126397544380006499E+001   0.176816949165921766E+001  -0.302507358030093298E+001
   0.230682647485317027E+000   0.498020312610000127E+000  -0.218493913981480814E+001
   0.298581074060958329E+001   0.127608102935441781E+001  -0.260089620573680946E+001
  -0.327755988781218199E+000   0.692932334282275963E+001  -0.594207372353451824E+001
  -0.176919372321876467E+001   0.677574719040054685E+001  -0.480828907136442041E+001
   0.110631181377028787E+001   0.709281110876863252E+001  -0.480035978054549073E+001
   0.620789015912887709E+001   0.479102453348984003E+001   0.431046529027138206E-001
   0.488349828139840181E+001   0.463224218559428458E+001   0.131100316813750184E+001
   0.715680857370520940E+001   0.626985049930310723E+001   0.590295639275476458E+000
   0.648352183221454226E+001   0.405875188074510440E+001  -0.596195175263945654E+001
   0.615774816613805687E+001   0.265344004063202865E+001  -0.710465213266553786E+001
   0.709026375795263775E+001   0.539182138083986118E+001  -0.707621364421604504E+001
   0.560191546219738079E+001   0.148011286930413744E+001   0.704633518445958629E+001
   0.602462074011042148E+001   0.165307005286051112E+001   0.526358456602275737E+001
   0.379946633863745165E+001   0.110900467349787957E+001   0.703044636720373362E+001
   0.709135979910492065E+001  -0.600784753102824176E+001  -0.377212011188799268E+000
   0.643740873532142466E+001  -0.710727318280039455E+001   0.945815484279696417E+000
   0.708027466565786501E+001  -0.707760826209601923E+001  -0.187463855124675804E+001
  -0.756623663586662887E+000  -0.609244112099711543E+001   0.139345380868104907E+001
   0.124952470812505170E+000  -0.710721082183828123E+001   0.265037679458401065E+001
  -0.177053542876724879E+001  -0.493570385531731315E+001   0.240376942504647184E+001

这是30个原子的起始结构的坐标，总共90个数值，每一行为一个原子的下x、y、z坐标。但需要注意这里单位是原子单位，1 Bohr = 0.5291772083 Å