{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.304726 0.842198 ] [ 0.5 0.695274 0.842198 ] [ 0.5 0.304726 0.157802 ] [ 0.5 0.695274 0.157802 ] [ 0 0.804726 0.342198 ] [ 0 0.195274 0.342198 ] [ 0 0.804726 0.657802 ] [ 0 0.195274 0.657802 ] ] } "species" { "source-value" [ "Cr" "Cr" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.85298535568 "source-unit" "angstrom" } "b" { "source-value" 4.74941782319 "source-unit" "angstrom" } "c" { "source-value" 5.48834964458 "source-unit" "angstrom" } }