{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.243624 0.75 ] [ 0.5 0.756376 0.25 ] [ 0 0.743624 0.75 ] [ 0 0.256376 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.955693 0.75 ] [ 0.5 0.044307 0.25 ] [ 0 0.455693 0.75 ] [ 0 0.544307 0.25 ] [ 0.5 0.877943 0.952793 ] [ 0.5 0.122057 0.047207 ] [ 0.5 0.122057 0.452793 ] [ 0.5 0.877943 0.547207 ] [ 0 0.061428 0.75 ] [ 0 0.938572 0.25 ] [ 0 0.377943 0.952793 ] [ 0 0.622057 0.047207 ] [ 0 0.622057 0.452793 ] [ 0 0.377943 0.547207 ] [ 0.5 0.561428 0.75 ] [ 0.5 0.438572 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Nd" "Nd" "Nd" "Nd" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.40435207 "source-unit" "angstrom" } "b" { "source-value" 16.31122216 "source-unit" "angstrom" } "c" { "source-value" 11.41526356 "source-unit" "angstrom" } }