{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.992442 0.047369 0.25 ] [ 0.507558 0.547369 0.25 ] [ 0.492442 0.452631 0.75 ] [ 0.007558 0.952631 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.291483 0.710782 0.536844 ] [ 0.208517 0.210782 0.963156 ] [ 0.791483 0.789218 0.463156 ] [ 0.708517 0.289218 0.036844 ] [ 0.708517 0.289218 0.463156 ] [ 0.791483 0.789218 0.036844 ] [ 0.208517 0.210782 0.536844 ] [ 0.291483 0.710782 0.963156 ] [ 0.931443 0.513269 0.75 ] [ 0.568557 0.013269 0.75 ] [ 0.431443 0.986731 0.25 ] [ 0.068557 0.486731 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ti" "Ti" "Ti" "Ti" "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" 5.56856009 "source-unit" "angstrom" } "b" { "source-value" 5.67329718 "source-unit" "angstrom" } "c" { "source-value" 7.93828829 "source-unit" "angstrom" } }