{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.480804 0.315904 ] [ 0.75 0.980804 0.184096 ] [ 0.25 0.519196 0.684096 ] [ 0.25 0.019196 0.815904 ] [ 0.75 0.855643 0.563269 ] [ 0.25 0.144357 0.436731 ] [ 0.25 0.644357 0.063269 ] [ 0.75 0.355643 0.936731 ] [ 0.75 0.735039 0.884478 ] [ 0.25 0.264961 0.115522 ] [ 0.75 0.235039 0.615522 ] [ 0.25 0.764961 0.384478 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.72007011 "source-unit" "angstrom" } "b" { "source-value" 7.88123335 "source-unit" "angstrom" } "c" { "source-value" 8.81831455 "source-unit" "angstrom" } }