{ "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 0.557429 0.172088 ] [ 0.25 0.442571 0.827912 ] [ 0.75 0.057429 0.327912 ] [ 0.25 0.942571 0.672088 ] [ 0.75 0.838291 0.9481 ] [ 0.25 0.161709 0.0519 ] [ 0.75 0.338291 0.5519 ] [ 0.25 0.661709 0.4481 ] [ 0.25 0.520421 0.596204 ] [ 0.75 0.479579 0.403796 ] [ 0.25 0.020421 0.903796 ] [ 0.75 0.979579 0.096204 ] [ 0.25 0.682611 0.005807 ] [ 0.75 0.317389 0.994193 ] [ 0.25 0.182611 0.494193 ] [ 0.75 0.817389 0.505807 ] [ 0.75 0.732359 0.797357 ] [ 0.25 0.267641 0.202643 ] [ 0.75 0.232359 0.702643 ] [ 0.25 0.767641 0.297357 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.89084667 "source-unit" "angstrom" } "b" { "source-value" 8.86234639 "source-unit" "angstrom" } "c" { "source-value" 14.29641371 "source-unit" "angstrom" } }