{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.333712 0.351951 0.711007 ] [ 0.833712 0.148049 0.288993 ] [ 0.666288 0.851951 0.788993 ] [ 0.166288 0.648049 0.211007 ] [ 0.599625 0.606331 0.419096 ] [ 0.099625 0.893669 0.580904 ] [ 0.400375 0.106331 0.080904 ] [ 0.900375 0.393669 0.919096 ] [ 0.092859 0.43515 0.466898 ] [ 0.592859 0.06485 0.533102 ] [ 0.907141 0.93515 0.033102 ] [ 0.407141 0.56485 0.966898 ] [ 0.832156 0.319479 0.611644 ] [ 0.332156 0.180521 0.388356 ] [ 0.167844 0.819479 0.888356 ] [ 0.667844 0.680521 0.111644 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "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" 6.56130699 "source-unit" "angstrom" } "b" { "source-value" 6.80348931 "source-unit" "angstrom" } "c" { "source-value" 11.76160068 "source-unit" "angstrom" } }