{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.094143 0.172082 0.393416 ] [ 0.594143 0.327918 0.606584 ] [ 0.405857 0.827918 0.893416 ] [ 0.905857 0.672082 0.106584 ] [ 0.249849 0.266554 0.988372 ] [ 0.250151 0.733446 0.488372 ] [ 0.750151 0.766554 0.511628 ] [ 0.749849 0.233446 0.011628 ] [ 0.001788 0.356159 0.149912 ] [ 0.498212 0.643841 0.649912 ] [ 0.998212 0.856159 0.350088 ] [ 0.501788 0.143841 0.850088 ] [ 0.007331 0.877801 0.860757 ] [ 0.507331 0.622199 0.139243 ] [ 0.492669 0.122199 0.360757 ] [ 0.992669 0.377801 0.639243 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.26591762 "source-unit" "angstrom" } "b" { "source-value" 7.88277304 "source-unit" "angstrom" } "c" { "source-value" 8.79126202 "source-unit" "angstrom" } }