{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.512553 0.191284 ] [ 0.25 0.987447 0.691284 ] [ 0.75 0.012553 0.308716 ] [ 0.25 0.487447 0.808716 ] [ 0.25 0.653516 0.437847 ] [ 0.25 0.153516 0.062153 ] [ 0.75 0.846484 0.937847 ] [ 0.75 0.346484 0.562153 ] [ 0.25 0.799154 0.107681 ] [ 0.25 0.299154 0.392319 ] [ 0.75 0.200846 0.892319 ] [ 0.75 0.700846 0.607681 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05419883 "source-unit" "angstrom" } "b" { "source-value" 6.53506689 "source-unit" "angstrom" } "c" { "source-value" 6.66402371 "source-unit" "angstrom" } }