{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.705544 0.705544 0.5 ] [ 0.794456 0.205544 0.75 ] [ 0.205544 0.794456 0.25 ] [ 0.294456 0.294456 0 ] [ 0.905861 0.75898 0.325631 ] [ 0.094139 0.24102 0.825631 ] [ 0.75898 0.905861 0.674369 ] [ 0.25898 0.594139 0.075631 ] [ 0.24102 0.094139 0.174369 ] [ 0.405861 0.74102 0.424369 ] [ 0.594139 0.25898 0.924369 ] [ 0.74102 0.405861 0.575631 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "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" 5.08261751 "source-unit" "angstrom" } "c" { "source-value" 7.09520676 "source-unit" "angstrom" } }