{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.710964 0.25 0.053663 ] [ 0.289036 0.75 0.946337 ] [ 0.723531 0.25 0.554038 ] [ 0.276469 0.75 0.445962 ] [ 0.240642 0.25 0.186896 ] [ 0.759358 0.75 0.813104 ] [ 0.031475 0.25 0.885082 ] [ 0.968525 0.75 0.114918 ] [ 0.036234 0.25 0.385294 ] [ 0.963766 0.75 0.614706 ] [ 0.494876 0.503671 0.251683 ] [ 0.505124 0.003671 0.748317 ] [ 0.505124 0.496329 0.748317 ] [ 0.494876 0.996329 0.251683 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "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" 6.83109207 "source-unit" "angstrom" } "b" { "source-value" 6.99577412 "source-unit" "angstrom" } "c" { "source-value" 7.79261148 "source-unit" "angstrom" } "beta" { "source-value" 107.03309061 "source-unit" "degree" } }