{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.973415 0.246946 0.75 ] [ 0.473415 0.753054 0.25 ] [ 0.526585 0.246946 0.75 ] [ 0.026585 0.753054 0.25 ] [ 0.75 0.39751 0.598212 ] [ 0.25 0.60249 0.401788 ] [ 0.75 0.39751 0.901788 ] [ 0.25 0.60249 0.098212 ] [ 0.75 0.897275 0.10561 ] [ 0.25 0.102725 0.89439 ] [ 0.75 0.897275 0.39439 ] [ 0.25 0.102725 0.60561 ] [ 0.75 0.94542 0.75 ] [ 0.25 0.05458 0.25 ] [ 0.75 0.464505 0.25 ] [ 0.25 0.535495 0.75 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.47756226 "source-unit" "angstrom" } "b" { "source-value" 7.73179237 "source-unit" "angstrom" } "c" { "source-value" 13.33926781 "source-unit" "angstrom" } }