{ "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 0.070527 0.75 ] [ 0 0.929473 0.25 ] [ 0.5 0.570527 0.75 ] [ 0.5 0.429473 0.25 ] [ 0.5 0.855511 0.551291 ] [ 0.5 0.144489 0.448709 ] [ 0.5 0.855511 0.948709 ] [ 0.5 0.144489 0.051291 ] [ 0 0.355511 0.551291 ] [ 0 0.644489 0.448709 ] [ 0 0.355511 0.948709 ] [ 0 0.644489 0.051291 ] [ 0 0.220106 0.25 ] [ 0 0.779894 0.75 ] [ 0.5 0.720106 0.25 ] [ 0.5 0.279894 0.75 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "In" "In" "In" "In" "In" "In" "In" "In" "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" 4.3879108 "source-unit" "angstrom" } "b" { "source-value" 10.319818 "source-unit" "angstrom" } "c" { "source-value" 8.0933998 "source-unit" "angstrom" } }