eCL20采样的一些数据

[{"title":"（ 46 个子文件 52.43MB ） eCL20采样的一些数据","children":[{"title":"e_CL20 Forcite GeomOpt","children":[{"title":"e_CL20 Forcite Dynamics","children":[{"title":"e_CL20 Forcite SOCF.std <span style='color:#111;'> 99.92KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r).xcd <span style='color:#111;'> 12.92KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r) (2).xcd <span style='color:#111;'> 12.86KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Evolution.xcd <span style='color:#111;'> 49.09KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Evolution (3).xcd <span style='color:#111;'> 48.64KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Evolution (2).xcd <span style='color:#111;'> 49.01KB </span>","children":null,"spread":false},{"title":"e_CL20 Cell.xcd <span style='color:#111;'> 237.34KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Distribution.xcd <span style='color:#111;'> 13.42KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Distribution (2).xcd <span style='color:#111;'> 13.88KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF (2).std <span style='color:#111;'> 99.85KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Evolution (2).std <span style='color:#111;'> 287.03KB </span>","children":null,"spread":false},{"title":"SMForcite_Extension_e_CL20.xms <span style='color:#111;'> 7.38KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF (4).xcd <span style='color:#111;'> 12.86KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF.xcd <span style='color:#111;'> 12.93KB </span>","children":null,"spread":false},{"title":"e_CL20 Temperature.xcd <span style='color:#111;'> 45.28KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r) (4).std <span style='color:#111;'> 99.84KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF (2).xcd <span style='color:#111;'> 12.87KB </span>","children":null,"spread":false},{"title":"e_CL20.xsd <span style='color:#111;'> 861.11KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite RDF.std <span style='color:#111;'> 883.52KB </span>","children":null,"spread":false},{"title":"Status.txt <span style='color:#111;'> 1.38KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r).std <span style='color:#111;'> 99.90KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Evolution.std <span style='color:#111;'> 287.13KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF (3).xcd <span style='color:#111;'> 12.86KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF (3).std <span style='color:#111;'> 99.85KB </span>","children":null,"spread":false},{"title":"e_CL20.xtd <span style='color:#111;'> 799.59KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Distribution (3).xcd <span style='color:#111;'> 16.21KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r) (4).xcd <span style='color:#111;'> 12.86KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r) (3).xcd <span style='color:#111;'> 12.86KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Distribution.std <span style='color:#111;'> 99.99KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Evolution (3).std <span style='color:#111;'> 286.65KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Distribution (3).std <span style='color:#111;'> 102.53KB </span>","children":null,"spread":false},{"title":"e_CL20.txt <span style='color:#111;'> 2.69KB </span>","children":null,"spread":false},{"title":"e_CL20 Energies.xcd <span style='color:#111;'> 176.49KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r) (2).std <span style='color:#111;'> 99.84KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF G(r) (3).std <span style='color:#111;'> 99.84KB </span>","children":null,"spread":false},{"title":"e_CL20 Density.xcd <span style='color:#111;'> 45.27KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite RDF.xcd <span style='color:#111;'> 84.00KB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite Torsion Distribution (2).std <span style='color:#111;'> 100.38KB </span>","children":null,"spread":false},{"title":"e_CL20.trj <span style='color:#111;'> 53.75MB </span>","children":null,"spread":false},{"title":"e_CL20 Forcite SOCF (4).std <span style='color:#111;'> 99.85KB </span>","children":null,"spread":false}],"spread":false},{"title":"SMForcite_Extension_e_CL20.xms <span style='color:#111;'> 7.11KB </span>","children":null,"spread":false},{"title":"e_CL20.xsd <span style='color:#111;'> 756.44KB </span>","children":null,"spread":false},{"title":"Status.txt <span style='color:#111;'> 1.36KB </span>","children":null,"spread":false},{"title":"e_CL20 Convergence.xcd <span style='color:#111;'> 46.78KB </span>","children":null,"spread":false},{"title":"e_CL20.txt <span style='color:#111;'> 4.52KB </span>","children":null,"spread":false},{"title":"e_CL20 Energies.xcd <span style='color:#111;'> 23.60KB </span>","children":null,"spread":false}],"spread":true}],"spread":true}]