{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0.5 0.80806 0.103482 ] [ 0.5 0.19194 0.896518 ] [ 0 0.19194 0.103482 ] [ 0 0.80806 0.896518 ] [ 0 0.30806 0.603482 ] [ 0 0.69194 0.396518 ] [ 0.5 0.69194 0.603482 ] [ 0.5 0.30806 0.396518 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "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" 5.24706284914 "source-unit" "angstrom" } "b" { "source-value" 5.73791102506 "source-unit" "angstrom" } "c" { "source-value" 10.631975572 "source-unit" "angstrom" } }