{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.227636 0.361374 ] [ 0 0.772364 0.638626 ] [ 0.5 0.272364 0.861374 ] [ 0.5 0.727636 0.138626 ] ] } "species" { "source-value" [ "Fe" "Fe" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.89602825 "source-unit" "angstrom" } "b" { "source-value" 5.26000932 "source-unit" "angstrom" } "c" { "source-value" 6.25867776 "source-unit" "angstrom" } }