{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.410743 0.379545 ] [ 0.75 0.589257 0.620455 ] [ 0.75 0.910743 0.120455 ] [ 0.25 0.089257 0.879545 ] [ 0.75 0.286957 0.487676 ] [ 0.25 0.713043 0.512324 ] [ 0.25 0.786957 0.012324 ] [ 0.75 0.213043 0.987676 ] [ 0.75 0.577492 0.256668 ] [ 0.25 0.422508 0.743332 ] [ 0.25 0.077492 0.243332 ] [ 0.75 0.922508 0.756668 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.05411095 "source-unit" "angstrom" } "b" { "source-value" 4.86381847 "source-unit" "angstrom" } "c" { "source-value" 9.63838291 "source-unit" "angstrom" } }