{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.193349 0 ] [ 0 0.693349 0.5 ] [ 0.5 0.666002 0 ] [ 0.5 0.166002 0.5 ] [ 0 0.695167 0 ] [ 0.5 0.233141 0.858695 ] [ 0.5 0.233141 0.141305 ] [ 0 0.195167 0.5 ] [ 0.5 0.733141 0.358695 ] [ 0.5 0.733141 0.641305 ] ] } "species" { "source-value" [ "Ca" "Ca" "Sn" "Sn" "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" 5.39857677 "source-unit" "angstrom" } "b" { "source-value" 5.69344304 "source-unit" "angstrom" } "c" { "source-value" 8.10517582 "source-unit" "angstrom" } }