{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.109489 0.75 ] [ 0 0.890511 0.25 ] [ 0.5 0.609489 0.75 ] [ 0.5 0.390511 0.25 ] [ 0.5 0.134118 0.0628 ] [ 0.5 0.865882 0.5628 ] [ 0.5 0.865882 0.9372 ] [ 0.5 0.134118 0.4372 ] [ 0 0.634118 0.0628 ] [ 0 0.365882 0.5628 ] [ 0 0.365882 0.9372 ] [ 0 0.634118 0.4372 ] [ 0 0.837096 0.75 ] [ 0 0.162904 0.25 ] [ 0.5 0.337096 0.75 ] [ 0.5 0.662904 0.25 ] [ 0.5 0.071621 0.25 ] [ 0.5 0.761757 0.110493 ] [ 0.5 0.238243 0.610493 ] [ 0 0 0 ] [ 0.5 0.238243 0.889507 ] [ 0.5 0.761757 0.389507 ] [ 0 0 0.5 ] [ 0.5 0.928379 0.75 ] [ 0 0.571621 0.25 ] [ 0 0.261757 0.110493 ] [ 0 0.738243 0.610493 ] [ 0.5 0.5 0 ] [ 0 0.738243 0.889507 ] [ 0 0.261757 0.389507 ] [ 0.5 0.5 0.5 ] [ 0 0.428379 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 4.18175116 "source-unit" "angstrom" } "b" { "source-value" 14.45484044 "source-unit" "angstrom" } "c" { "source-value" 14.51504041 "source-unit" "angstrom" } }