{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pncb" } "basis-atom-coordinates" { "source-value" [ [ 0.345819 0.57597 0.857888 ] [ 0.654181 0.92403 0.857888 ] [ 0.345819 0.07597 0.142112 ] [ 0.654181 0.42403 0.142112 ] [ 0.345819 0.42403 0.357888 ] [ 0.654181 0.07597 0.357888 ] [ 0.345819 0.92403 0.642112 ] [ 0.654181 0.57597 0.642112 ] [ 0 0.605675 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0.550207 0.25 ] [ 0.5 0.75 0.61443 ] [ 0 0.394325 0.25 ] [ 0.5 0.25 0.38557 ] [ 0.5 0.449793 0.75 ] [ 0.5 0.25 0.11443 ] [ 0.5 0.949793 0.25 ] [ 0 0.894325 0.75 ] [ 0.5 0 0 ] [ 0.5 0.75 0.88557 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.105675 0.25 ] [ 0.5 0.050207 0.75 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 3.87878804 "source-unit" "angstrom" } "b" { "source-value" 8.74804082 "source-unit" "angstrom" } "c" { "source-value" 9.84036387 "source-unit" "angstrom" } }