{ "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 0.975172 0.323635 ] [ 0.25 0.024828 0.676365 ] [ 0.75 0.475172 0.176365 ] [ 0.25 0.524828 0.823635 ] [ 0.75 0.849345 0.933512 ] [ 0.25 0.150655 0.066488 ] [ 0.75 0.349345 0.566488 ] [ 0.25 0.650655 0.433512 ] [ 0.75 0.723121 0.624459 ] [ 0.25 0.276879 0.375541 ] [ 0.75 0.223121 0.875541 ] [ 0.25 0.776879 0.124459 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.36485321 "source-unit" "angstrom" } "b" { "source-value" 7.34857174 "source-unit" "angstrom" } "c" { "source-value" 8.38801524 "source-unit" "angstrom" } }