{ "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" [ [ 0.153448 0.09368 0.25 ] [ 0.857666 0.192457 0.566578 ] [ 0.846552 0.90632 0.75 ] [ 0.823261 0.466022 0.145032 ] [ 0.176739 0.533978 0.645032 ] [ 0.357666 0.307543 0.066578 ] [ 0.346552 0.59368 0.25 ] [ 0.823261 0.466022 0.354968 ] [ 0.323261 0.033978 0.854968 ] [ 0.142334 0.807543 0.066578 ] [ 0.642334 0.692457 0.566578 ] [ 0.676739 0.966022 0.354968 ] [ 0.642334 0.692457 0.933422 ] [ 0.323261 0.033978 0.645032 ] [ 0.142334 0.807543 0.433422 ] [ 0.653448 0.40632 0.75 ] [ 0.176739 0.533978 0.854968 ] [ 0.357666 0.307543 0.433422 ] [ 0.676739 0.966022 0.145032 ] [ 0.857666 0.192457 0.933422 ] [ 0.03616 0.239461 0.75 ] [ 0.46384 0.739461 0.75 ] [ 0.53616 0.260539 0.25 ] [ 0.96384 0.760539 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.79912908 "source-unit" "angstrom" } "b" { "source-value" 7.64539603 "source-unit" "angstrom" } "c" { "source-value" 15.77880639 "source-unit" "angstrom" } }