{ "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" [ [ 0.468572 0.411964 0.75 ] [ 0.031428 0.911964 0.75 ] [ 0.531428 0.588036 0.25 ] [ 0.968572 0.088036 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.633133 0.048386 0.75 ] [ 0.866867 0.548386 0.75 ] [ 0.366867 0.951614 0.25 ] [ 0.133133 0.451614 0.25 ] [ 0.185977 0.191052 0.935076 ] [ 0.314023 0.691052 0.564924 ] [ 0.814023 0.808948 0.435076 ] [ 0.685977 0.308948 0.064924 ] [ 0.814023 0.808948 0.064924 ] [ 0.685977 0.308948 0.435076 ] [ 0.185977 0.191052 0.564924 ] [ 0.314023 0.691052 0.935076 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "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" 6.73063769 "source-unit" "angstrom" } "b" { "source-value" 7.06358033 "source-unit" "angstrom" } "c" { "source-value" 9.63491778 "source-unit" "angstrom" } }