{ "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" [ [ 0.348451 0 0.75 ] [ 0.651549 0 0.25 ] [ 0.848451 0.5 0.75 ] [ 0.151549 0.5 0.25 ] [ 0.843806 0 0.75 ] [ 0.156194 0 0.25 ] [ 0.343806 0.5 0.75 ] [ 0.656194 0.5 0.25 ] [ 0.983953 0.168945 0.75 ] [ 0.016047 0.831055 0.25 ] [ 0.983953 0.831055 0.75 ] [ 0.016047 0.168945 0.25 ] [ 0.298957 0 0.082261 ] [ 0.701043 0 0.582261 ] [ 0.298957 0 0.417739 ] [ 0.701043 0 0.917739 ] [ 0.483953 0.668945 0.75 ] [ 0.516047 0.331055 0.25 ] [ 0.483953 0.331055 0.75 ] [ 0.516047 0.668945 0.25 ] [ 0.798957 0.5 0.082261 ] [ 0.201043 0.5 0.582261 ] [ 0.798957 0.5 0.417739 ] [ 0.201043 0.5 0.917739 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "S" "S" "S" "S" "O" "O" "O" "O" "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" 6.29186637278 "source-unit" "angstrom" } "b" { "source-value" 7.10308853169 "source-unit" "angstrom" } "c" { "source-value" 7.09405654 "source-unit" "angstrom" } }