diff --git "a/NVT_OrbMolV2/NaOTf_tetraglyme_1M.xyz" "b/NVT_OrbMolV2/NaOTf_tetraglyme_1M.xyz" new file mode 100644--- /dev/null +++ "b/NVT_OrbMolV2/NaOTf_tetraglyme_1M.xyz" @@ -0,0 +1,3549 @@ +3547 +Lattice="38.02000045776367 0.0 0.0 0.0 38.02000045776367 0.0 0.0 0.0 38.02000045776367" Properties=species:S:1:pos:R:3 pbc="T T T" +Na 16.07447624 11.18623447 5.01745701 +Na 34.65404892 -3.26594138 20.15411949 +Na 34.31852722 24.08183098 36.75297928 +Na 24.99261093 4.10881853 30.24357033 +Na -1.15410888 25.17641640 11.62858677 +Na 13.82416153 8.80972004 46.29872513 +Na 24.51981926 26.06335258 5.77400875 +Na 36.24164963 18.67301750 15.20093346 +Na 6.59083033 9.59631443 18.04634476 +Na 25.69905090 2.27579927 27.69923401 +Na 0.66766965 -0.79620552 19.99223709 +Na 21.06286621 20.67124939 34.31739044 +Na 19.58518219 25.57727814 23.83179474 +Na 19.59826469 29.48177338 16.39925385 +Na 18.50661087 15.74646759 31.32922363 +Na 8.58327866 23.70894814 9.23275852 +Na 24.22868156 6.14362240 27.47867775 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