{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.991901 0.037371 0.25 ] [ 0.508099 0.537371 0.25 ] [ 0.491901 0.462629 0.75 ] [ 0.008099 0.962629 0.75 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.288326 0.711795 0.543178 ] [ 0.211674 0.211795 0.956822 ] [ 0.788326 0.788205 0.456822 ] [ 0.711674 0.288205 0.043178 ] [ 0.711674 0.288205 0.456822 ] [ 0.788326 0.788205 0.043178 ] [ 0.211674 0.211795 0.543178 ] [ 0.288326 0.711795 0.956822 ] [ 0.919281 0.519043 0.75 ] [ 0.580719 0.019043 0.75 ] [ 0.419281 0.980957 0.25 ] [ 0.080719 0.480957 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cr" "Cr" "Cr" "Cr" "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" 5.56728006 "source-unit" "angstrom" } "b" { "source-value" 5.61169205 "source-unit" "angstrom" } "c" { "source-value" 7.88797239 "source-unit" "angstrom" } }