{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.487858 0.303651 0.997392 ] [ 0.512142 0.803651 0.502608 ] [ 0.512142 0.696349 0.002608 ] [ 0.487858 0.196349 0.497392 ] [ 0.129044 0.612497 0.224482 ] [ 0.870956 0.112497 0.275518 ] [ 0.870956 0.387503 0.775518 ] [ 0.129044 0.887503 0.724482 ] [ 0.778443 0.481104 0.28461 ] [ 0.221557 0.981104 0.21539 ] [ 0.221557 0.518896 0.71539 ] [ 0.778443 0.018896 0.78461 ] [ 0.669467 0.492272 0.126016 ] [ 0.330533 0.992272 0.373984 ] [ 0.330533 0.507728 0.873984 ] [ 0.669467 0.007728 0.626016 ] [ 0.74111 0.298533 0.35169 ] [ 0.25889 0.798533 0.14831 ] [ 0.25889 0.701467 0.64831 ] [ 0.74111 0.201467 0.85169 ] [ 0.697489 0.626008 0.386568 ] [ 0.302511 0.126008 0.113432 ] [ 0.302511 0.373992 0.613432 ] [ 0.697489 0.873992 0.886568 ] [ 0.071091 0.491664 0.267651 ] [ 0.928909 0.991664 0.232349 ] [ 0.928909 0.508336 0.732349 ] [ 0.071091 0.008336 0.767651 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "H" "H" "H" "H" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.34147822338 "source-unit" "angstrom" } "b" { "source-value" 7.37367729 "source-unit" "angstrom" } "c" { "source-value" 8.55968619793 "source-unit" "angstrom" } "beta" { "source-value" 90.1518160614 "source-unit" "degree" } }