{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.948795 0.75 ] [ 0 0.325439 0.914472 ] [ 0 0.674561 0.414472 ] [ 0 0.674561 0.085528 ] [ 0 0.051205 0.25 ] [ 0 0.325439 0.585528 ] [ 0.5 0.458628 0.75 ] [ 0.5 0.541372 0.25 ] [ 0.5 0.823329 0.918037 ] [ 0.5 0.823329 0.581963 ] [ 0.5 0.176671 0.081963 ] [ 0.5 0.176671 0.418037 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ir" "Ir" "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" 2.88052442 "source-unit" "angstrom" } "b" { "source-value" 4.86443399 "source-unit" "angstrom" } "c" { "source-value" 13.85160659 "source-unit" "angstrom" } }