{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.267539 ] [ 0.5 0 0.732461 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.664488 ] [ 0.5 0 0.335512 ] [ 0 0.215123 0.185155 ] [ 0 0.784877 0.185155 ] [ 0.284877 0.5 0.185155 ] [ 0.715123 0.5 0.185155 ] [ 0.215123 0 0.814845 ] [ 0.5 0.284877 0.814845 ] [ 0.784877 0 0.814845 ] [ 0.5 0.715123 0.814845 ] ] } "species" { "source-value" [ "Fe" "Fe" "Mo" "Mo" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.78433464 "source-unit" "angstrom" } "c" { "source-value" 5.6260589 "source-unit" "angstrom" } }