{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.843809 0.81544 ] [ 0.75 0.156191 0.18456 ] [ 0.75 0.343809 0.68456 ] [ 0.25 0.656191 0.31544 ] [ 0.25 0.303373 0.94182 ] [ 0.75 0.696627 0.05818 ] [ 0.75 0.803373 0.55818 ] [ 0.25 0.196627 0.44182 ] [ 0.527749 0.813698 0.080294 ] [ 0.027749 0.186302 0.919706 ] [ 0.472251 0.313698 0.419706 ] [ 0.972251 0.686302 0.580294 ] [ 0.472251 0.186302 0.919706 ] [ 0.972251 0.813698 0.080294 ] [ 0.527749 0.686302 0.580294 ] [ 0.027749 0.313698 0.419706 ] [ 0.25 0.043192 0.330219 ] [ 0.75 0.956808 0.669781 ] [ 0.75 0.543192 0.169781 ] [ 0.25 0.456808 0.830219 ] [ 0.25 0.120309 0.596544 ] [ 0.75 0.879691 0.403456 ] [ 0.75 0.620309 0.903456 ] [ 0.25 0.379691 0.096544 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Mn" "Mn" "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" 5.95253514 "source-unit" "angstrom" } "b" { "source-value" 7.82662253 "source-unit" "angstrom" } "c" { "source-value" 9.69293562 "source-unit" "angstrom" } }