{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.175192 0.175192 0.158807 ] [ 0.824808 0.175192 0.841193 ] [ 0.175192 0.824808 0.841193 ] [ 0.824808 0.824808 0.158807 ] [ 0.675192 0.675192 0.658807 ] [ 0.324808 0.675192 0.341193 ] [ 0.675192 0.324808 0.341193 ] [ 0.324808 0.324808 0.658807 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.099957 0.099957 0.650531 ] [ 0.099957 0.900043 0.349469 ] [ 0.900043 0.099957 0.349469 ] [ 0.900043 0.900043 0.650531 ] [ 0.599957 0.599957 0.150531 ] [ 0.599957 0.400043 0.849469 ] [ 0.400043 0.599957 0.849469 ] [ 0.400043 0.400043 0.150531 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "C" "C" "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" 8.43150376764 "source-unit" "angstrom" } "c" { "source-value" 5.40351892632 "source-unit" "angstrom" } }