{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.045348 0.182077 0.368835 ] [ 0.545348 0.817923 0.631165 ] [ 0.454652 0.182077 0.631165 ] [ 0.454652 0.317923 0.868835 ] [ 0.454652 0.317923 0.131165 ] [ 0.954652 0.682077 0.868835 ] [ 0.045348 0.317923 0.868835 ] [ 0.045348 0.182077 0.631165 ] [ 0.75 0.401917 0 ] [ 0.75 0.098083 0.5 ] [ 0.75 0.968705 0.841585 ] [ 0.75 0.531295 0.658415 ] [ 0.75 0.968705 0.158415 ] [ 0.75 0.531295 0.341585 ] [ 0.545348 0.682077 0.868835 ] [ 0.045348 0.317923 0.131165 ] [ 0.954652 0.682077 0.131165 ] [ 0.954652 0.817923 0.368835 ] [ 0.954652 0.817923 0.631165 ] [ 0.454652 0.182077 0.368835 ] [ 0.545348 0.817923 0.368835 ] [ 0.545348 0.682077 0.131165 ] [ 0.25 0.901917 0.5 ] [ 0.25 0.598083 0 ] [ 0.25 0.468705 0.341585 ] [ 0.25 0.031295 0.158415 ] [ 0.25 0.468705 0.658415 ] [ 0.25 0.031295 0.841585 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.57285192212 "source-unit" "angstrom" } "b" { "source-value" 7.79948368068 "source-unit" "angstrom" } "c" { "source-value" 10.5253332546 "source-unit" "angstrom" } }