{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.164889 0.856883 ] [ 0.5 0.835111 0.856883 ] [ 0.5 0.164889 0.143117 ] [ 0 0.835111 0.143117 ] [ 0.5 0.664889 0.356883 ] [ 0 0.335111 0.356883 ] [ 0 0.664889 0.643117 ] [ 0.5 0.335111 0.643117 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.5 0.665163 0.100905 ] [ 0 0.334837 0.100905 ] [ 0 0.665163 0.899095 ] [ 0.5 0.334837 0.899095 ] [ 0 0.165163 0.600905 ] [ 0.5 0.834837 0.600905 ] [ 0.5 0.165163 0.399095 ] [ 0 0.834837 0.399095 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Si" "Si" "Si" "Si" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.43864478 "source-unit" "angstrom" } "b" { "source-value" 7.07408753 "source-unit" "angstrom" } "c" { "source-value" 13.44171278 "source-unit" "angstrom" } }