{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.653016 0.853627 ] [ 0.5 0.346984 0.146373 ] [ 0.5 0.153016 0.646373 ] [ 0.5 0.846984 0.353627 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0 0.905231 0.767799 ] [ 0 0.094769 0.232201 ] [ 0 0.405231 0.732201 ] [ 0 0.594769 0.267799 ] [ 0.5 0.689111 0.604352 ] [ 0.5 0.310889 0.395648 ] [ 0.5 0.189111 0.895648 ] [ 0.5 0.810889 0.104352 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.0752828 "source-unit" "angstrom" } "b" { "source-value" 5.52799476 "source-unit" "angstrom" } "c" { "source-value" 10.7184683 "source-unit" "angstrom" } }