{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.985673 0.053492 0.25 ] [ 0.485673 0.446508 0.75 ] [ 0.514327 0.553492 0.25 ] [ 0.014327 0.946508 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.696888 0.299502 0.443834 ] [ 0.196888 0.200498 0.556166 ] [ 0.803112 0.799502 0.056166 ] [ 0.303112 0.700498 0.943834 ] [ 0.303112 0.700498 0.556166 ] [ 0.803112 0.799502 0.443834 ] [ 0.196888 0.200498 0.943834 ] [ 0.696888 0.299502 0.056166 ] [ 0.106908 0.457949 0.25 ] [ 0.606908 0.042051 0.75 ] [ 0.393092 0.957949 0.25 ] [ 0.893092 0.542051 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.58310961 "source-unit" "angstrom" } "b" { "source-value" 5.75621941 "source-unit" "angstrom" } "c" { "source-value" 8.00135614 "source-unit" "angstrom" } }