{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.003207 0.587855 0.878381 ] [ 0.503207 0.412145 0.121619 ] [ 0.503207 0.912145 0.378381 ] [ 0.003207 0.087855 0.621619 ] [ 0.999794 0.573093 0.373993 ] [ 0.499794 0.426907 0.626007 ] [ 0.499794 0.926907 0.873993 ] [ 0.999794 0.073093 0.126007 ] [ 0.113055 0.905887 0.363492 ] [ 0.613055 0.094113 0.636508 ] [ 0.613055 0.594113 0.863492 ] [ 0.113055 0.405887 0.136508 ] [ 0.633744 0.563408 0.383402 ] [ 0.133744 0.436592 0.616598 ] [ 0.133744 0.936592 0.883402 ] [ 0.633744 0.063408 0.116598 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.61595715 "source-unit" "angstrom" } "b" { "source-value" 6.91611215 "source-unit" "angstrom" } "c" { "source-value" 8.36035743 "source-unit" "angstrom" } }