{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.081534 0 ] [ 0 0.581534 0.5 ] [ 0.5 0.581534 0 ] [ 0.5 0.081534 0.5 ] [ 0.5 0.248233 0.068581 ] [ 0.5 0.248233 0.931419 ] [ 0.5 0.748233 0.568581 ] [ 0.5 0.748233 0.431419 ] [ 0 0.748233 0.068581 ] [ 0 0.748233 0.931419 ] [ 0 0.248233 0.568581 ] [ 0 0.248233 0.431419 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.47424114 "source-unit" "angstrom" } "b" { "source-value" 6.02044518 "source-unit" "angstrom" } "c" { "source-value" 24.4609568 "source-unit" "angstrom" } }