{ "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" [ [ 0.347603 0 0.25 ] [ 0.652397 0 0.75 ] [ 0.847603 0.5 0.25 ] [ 0.152397 0.5 0.75 ] [ 0.842532 0 0.25 ] [ 0.157468 0 0.75 ] [ 0.342532 0.5 0.25 ] [ 0.657468 0.5 0.75 ] [ 0.709851 0 0.415886 ] [ 0.290149 0 0.915886 ] [ 0.709851 0 0.084114 ] [ 0.290149 0 0.584114 ] [ 0.026532 0.165947 0.75 ] [ 0.973468 0.834053 0.25 ] [ 0.026532 0.834053 0.75 ] [ 0.973468 0.165947 0.25 ] [ 0.209851 0.5 0.415886 ] [ 0.790149 0.5 0.915886 ] [ 0.209851 0.5 0.084114 ] [ 0.790149 0.5 0.584114 ] [ 0.526532 0.665947 0.75 ] [ 0.473468 0.334053 0.25 ] [ 0.526532 0.334053 0.75 ] [ 0.473468 0.665947 0.25 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "B" "B" "B" "B" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 6.29941772451 "source-unit" "angstrom" } "b" { "source-value" 6.933486544 "source-unit" "angstrom" } "c" { "source-value" 6.91762369 "source-unit" "angstrom" } }