{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.48826 0.544814 0.75 ] [ 0.51174 0.455186 0.25 ] [ 0.01174 0.044814 0.75 ] [ 0.98826 0.955186 0.25 ] [ 0.633254 0.336992 0.940663 ] [ 0.366746 0.663008 0.440663 ] [ 0.866746 0.836992 0.940663 ] [ 0.133254 0.163008 0.440663 ] [ 0.649637 0.070561 0.25 ] [ 0.350363 0.929439 0.75 ] [ 0.850363 0.570561 0.25 ] [ 0.149637 0.429439 0.75 ] [ 0.133254 0.163008 0.059337 ] [ 0.866746 0.836992 0.559337 ] [ 0.366746 0.663008 0.059337 ] [ 0.633254 0.336992 0.559337 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "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" 6.7881655 "source-unit" "angstrom" } "b" { "source-value" 8.37319238 "source-unit" "angstrom" } "c" { "source-value" 8.8150919 "source-unit" "angstrom" } }