{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.568723 0.177004 ] [ 0.25 0.431277 0.822996 ] [ 0.75 0.068723 0.322996 ] [ 0.25 0.931277 0.677004 ] [ 0.25 0.165305 0.053615 ] [ 0.75 0.834695 0.946385 ] [ 0.25 0.665305 0.446385 ] [ 0.75 0.334695 0.553615 ] [ 0.25 0.282947 0.204328 ] [ 0.75 0.717053 0.795672 ] [ 0.25 0.782947 0.295672 ] [ 0.75 0.217053 0.704328 ] [ 0.75 0.326165 0.991915 ] [ 0.25 0.673835 0.008085 ] [ 0.75 0.826165 0.508085 ] [ 0.25 0.173835 0.491915 ] [ 0.25 0.018972 0.900447 ] [ 0.75 0.981028 0.099553 ] [ 0.25 0.518972 0.599553 ] [ 0.75 0.481028 0.400447 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mn" "Mn" "Mn" "Mn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.09905193 "source-unit" "angstrom" } "b" { "source-value" 9.4622854 "source-unit" "angstrom" } "c" { "source-value" 15.44821262 "source-unit" "angstrom" } }