{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.103059 0.344891 ] [ 0 0.162071 0.174028 ] [ 0 0.143915 0.576644 ] [ 0.5 0.356085 0.076644 ] [ 0.5 0.337929 0.674028 ] [ 0 0.396941 0.844891 ] [ 0 0.603059 0.155109 ] [ 0.5 0.662071 0.325972 ] [ 0.5 0.643915 0.923356 ] [ 0 0.856085 0.423356 ] [ 0 0.837929 0.825972 ] [ 0.5 0.896941 0.655109 ] [ 0.5 0.118412 0.906081 ] [ 0 0.381588 0.406081 ] [ 0 0.618412 0.593919 ] [ 0.5 0.881588 0.093919 ] [ 0.5 0.099782 0.117038 ] [ 0 0.171528 0.376551 ] [ 0.5 0.328472 0.876551 ] [ 0 0.400218 0.617038 ] [ 0 0.599782 0.382962 ] [ 0.5 0.671528 0.123449 ] [ 0 0.828472 0.623449 ] [ 0.5 0.900218 0.882962 ] [ 0.5 0.117038 0.630517 ] [ 0 0.382962 0.130517 ] [ 0 0.617038 0.869483 ] [ 0.5 0.882962 0.369483 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.65306615 "source-unit" "angstrom" } "b" { "source-value" 8.5292205 "source-unit" "angstrom" } "c" { "source-value" 9.75077854 "source-unit" "angstrom" } }