{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.751893 0 ] [ 0 0.248107 0 ] [ 0.751331 0 0.5 ] [ 0.248669 0 0.5 ] [ 0.5 0.251893 0 ] [ 0.5 0.748107 0 ] [ 0.251331 0.5 0.5 ] [ 0.748669 0.5 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Sn" "Sn" "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" 7.36170768784 "source-unit" "angstrom" } "b" { "source-value" 10.3744810003 "source-unit" "angstrom" } "c" { "source-value" 3.67017679 "source-unit" "angstrom" } }