{ "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" [ [ 0.5 0.363651 0.847698 ] [ 0.5 0.636349 0.152302 ] [ 0 0.636349 0.847698 ] [ 0 0.363651 0.152302 ] [ 0 0.863651 0.347698 ] [ 0 0.136349 0.652302 ] [ 0.5 0.136349 0.347698 ] [ 0.5 0.863651 0.652302 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0.5 0.81439 0.904548 ] [ 0.5 0.18561 0.095452 ] [ 0 0.81439 0.095452 ] [ 0 0.18561 0.904548 ] [ 0 0.31439 0.404548 ] [ 0 0.68561 0.595452 ] [ 0.5 0.31439 0.595452 ] [ 0.5 0.68561 0.404548 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Zn" "Zn" "Zn" "Zn" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.50031848 "source-unit" "angstrom" } "b" { "source-value" 6.09319385 "source-unit" "angstrom" } "c" { "source-value" 10.53089293 "source-unit" "angstrom" } }