{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.129149 0.25 ] [ 0.5 0.870851 0.75 ] [ 0.5 0.850474 0.25 ] [ 0.5 0.149526 0.75 ] [ 0 0.156315 0.891263 ] [ 0 0.843685 0.391263 ] [ 0 0.843685 0.108737 ] [ 0 0.156315 0.608737 ] [ 0 0.629149 0.25 ] [ 0 0.370851 0.75 ] [ 0 0.350474 0.25 ] [ 0 0.649526 0.75 ] [ 0.5 0.656315 0.891263 ] [ 0.5 0.343685 0.391263 ] [ 0.5 0.343685 0.108737 ] [ 0.5 0.656315 0.608737 ] [ 0 0.201758 0.108308 ] [ 0 0.01114 0.75 ] [ 0 0.98886 0.25 ] [ 0 0.798242 0.891692 ] [ 0 0.798242 0.608308 ] [ 0 0.201758 0.391692 ] [ 0.5 0.701758 0.108308 ] [ 0.5 0.51114 0.75 ] [ 0.5 0.48886 0.25 ] [ 0.5 0.298242 0.891692 ] [ 0.5 0.298242 0.608308 ] [ 0.5 0.701758 0.391692 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.96012065 "source-unit" "angstrom" } "b" { "source-value" 11.85159356 "source-unit" "angstrom" } "c" { "source-value" 9.87022051 "source-unit" "angstrom" } }