{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.533707 0.172787 ] [ 0.5 0.466293 0.827213 ] [ 0.5 0.033707 0.327213 ] [ 0.5 0.966293 0.672787 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.67097 0.406592 ] [ 0.5 0.32903 0.593408 ] [ 0.5 0.17097 0.093408 ] [ 0.5 0.82903 0.906592 ] [ 0 0.826988 0.19502 ] [ 0 0.173012 0.80498 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0 0.673012 0.69502 ] [ 0 0.326988 0.30498 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.88364919 "source-unit" "angstrom" } "b" { "source-value" 7.8491173 "source-unit" "angstrom" } "c" { "source-value" 11.4817888 "source-unit" "angstrom" } }