{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnn" } "basis-atom-coordinates" { "source-value" [ [ 0.451642 0.415622 0.348997 ] [ 0.951642 0.584378 0.848997 ] [ 0.451642 0.084378 0.151003 ] [ 0.548358 0.915622 0.848997 ] [ 0.548358 0.584378 0.651003 ] [ 0.048358 0.415622 0.151003 ] [ 0.048358 0.084378 0.348997 ] [ 0.951642 0.915622 0.651003 ] [ 0.75 0.466467 0.75 ] [ 0.75 0.398535 0.25 ] [ 0.25 0.533533 0.25 ] [ 0.25 0.601465 0.75 ] [ 0.75 0.75 0.613426 ] [ 0.75 0.101465 0.25 ] [ 0.25 0.25 0.386574 ] [ 0.25 0.898535 0.75 ] [ 0.25 0.966467 0.25 ] [ 0.75 0.75 0.886574 ] [ 0.5 0.5 0.5 ] [ 0.75 0.033533 0.75 ] [ 0.5 0 0 ] [ 0.25 0.25 0.113426 ] [ 0 0 0.5 ] [ 0 0.5 0 ] ] } "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" 4.52143725 "source-unit" "angstrom" } "b" { "source-value" 8.27191336 "source-unit" "angstrom" } "c" { "source-value" 9.47530032 "source-unit" "angstrom" } }