{ "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" [ [ 0.018776 0.931585 0.75 ] [ 0.518776 0.568415 0.25 ] [ 0.481224 0.431585 0.75 ] [ 0.981224 0.068415 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.691758 0.305546 0.440683 ] [ 0.191758 0.194454 0.559317 ] [ 0.808242 0.805546 0.059317 ] [ 0.308242 0.694454 0.940683 ] [ 0.308242 0.694454 0.559317 ] [ 0.808242 0.805546 0.440683 ] [ 0.191758 0.194454 0.940683 ] [ 0.691758 0.305546 0.059317 ] [ 0.115642 0.456404 0.25 ] [ 0.615642 0.043596 0.75 ] [ 0.884358 0.543596 0.75 ] [ 0.384358 0.956404 0.25 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Fe" "Fe" "Fe" "Fe" "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" 5.34797075 "source-unit" "angstrom" } "b" { "source-value" 5.6613651 "source-unit" "angstrom" } "c" { "source-value" 7.72971035 "source-unit" "angstrom" } }