{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.991438 0.75 0.472276 ] [ 0.991438 0.25 0.027724 ] [ 0.008562 0.25 0.527724 ] [ 0.008562 0.75 0.972276 ] [ 0.900896 0.5 0.75 ] [ 0.099104 0 0.25 ] [ 0.099104 0.5 0.25 ] [ 0.900896 0 0.75 ] [ 0.013687 0.448115 0.404445 ] [ 0.013687 0.551885 0.095555 ] [ 0.986313 0.948115 0.595555 ] [ 0.986313 0.051885 0.904445 ] [ 0.986313 0.551885 0.595555 ] [ 0.986313 0.448115 0.904445 ] [ 0.013687 0.051885 0.404445 ] [ 0.013687 0.948115 0.095555 ] [ 0.508505 0.75 0.973184 ] [ 0.508505 0.25 0.526816 ] [ 0.491495 0.25 0.026816 ] [ 0.491495 0.75 0.473184 ] [ 0.499709 0 0.75 ] [ 0.500291 0.5 0.25 ] [ 0.003742 0.75 0.302436 ] [ 0.499709 0.5 0.75 ] [ 0.996258 0.75 0.802436 ] [ 0.996258 0.25 0.697564 ] [ 0.003742 0.25 0.197564 ] [ 0.500291 0 0.25 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "V" "V" "V" "V" "O" "O" "O" "O" "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" 4.121938 "source-unit" "angstrom" } "b" { "source-value" 7.2675366 "source-unit" "angstrom" } "c" { "source-value" 12.63726806 "source-unit" "angstrom" } }