{ "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" [ [ 0.796167 0 0.75 ] [ 0.203833 0 0.25 ] [ 0.296167 0.5 0.75 ] [ 0.703833 0.5 0.25 ] [ 0.688699 0 0.433192 ] [ 0.311301 0 0.933192 ] [ 0.688699 0 0.066808 ] [ 0.311301 0 0.566808 ] [ 0.188699 0.5 0.433192 ] [ 0.811301 0.5 0.933192 ] [ 0.188699 0.5 0.066808 ] [ 0.811301 0.5 0.566808 ] [ 0 0.795547 0 ] [ 0 0.204453 0.5 ] [ 0 0.795547 0.5 ] [ 0 0.204453 0 ] [ 0.5 0.295547 0 ] [ 0.5 0.704453 0.5 ] [ 0.5 0.295547 0.5 ] [ 0.5 0.704453 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.35940280653 "source-unit" "angstrom" } "b" { "source-value" 6.50498150618 "source-unit" "angstrom" } "c" { "source-value" 11.43481545 "source-unit" "angstrom" } }