{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcan" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.652439 ] [ 0.5 0.75 0.347561 ] [ 0 0.75 0.847561 ] [ 0 0.25 0.152439 ] [ 0.269251 0.920041 0.617468 ] [ 0.230749 0.920041 0.117468 ] [ 0.730749 0.079959 0.382532 ] [ 0.769251 0.079959 0.882532 ] [ 0.730749 0.579959 0.617468 ] [ 0.230749 0.420041 0.882532 ] [ 0.269251 0.420041 0.382532 ] [ 0.769251 0.579959 0.117468 ] ] } "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" 4.11541774 "source-unit" "angstrom" } "b" { "source-value" 4.52754314 "source-unit" "angstrom" } "c" { "source-value" 5.08215407 "source-unit" "angstrom" } }