{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.702948 0.840641 ] [ 0.5 0.297052 0.840641 ] [ 0.5 0.297052 0.159359 ] [ 0.5 0.702948 0.159359 ] [ 0 0.202948 0.340641 ] [ 0 0.797052 0.340641 ] [ 0 0.797052 0.659359 ] [ 0 0.202948 0.659359 ] ] } "species" { "source-value" [ "Mn" "Mn" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.95422339223 "source-unit" "angstrom" } "b" { "source-value" 4.63303256516 "source-unit" "angstrom" } "c" { "source-value" 5.37370358704 "source-unit" "angstrom" } }