{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.136169 0 ] [ 0.5 0.863831 0 ] [ 0 0.136169 0.5 ] [ 0 0.863831 0.5 ] [ 0 0.636169 0 ] [ 0 0.363831 0 ] [ 0.5 0.636169 0.5 ] [ 0.5 0.363831 0.5 ] [ 0.317321 0 0.181478 ] [ 0.817321 0 0.318522 ] [ 0.182679 0 0.681478 ] [ 0.5 0.880802 0.5 ] [ 0.75211 0.75 0.75 ] [ 0 0.880802 0 ] [ 0.74789 0.75 0.25 ] [ 0.682679 0 0.818522 ] [ 0.5 0.119198 0.5 ] [ 0 0.119198 0 ] [ 0.24789 0.75 0.25 ] [ 0.25211 0.75 0.75 ] [ 0.817321 0.5 0.181478 ] [ 0.317321 0.5 0.318522 ] [ 0.682679 0.5 0.681478 ] [ 0 0.380802 0.5 ] [ 0.25211 0.25 0.75 ] [ 0.5 0.380802 0 ] [ 0.24789 0.25 0.25 ] [ 0.182679 0.5 0.818522 ] [ 0 0.619198 0.5 ] [ 0.5 0.619198 0 ] [ 0.74789 0.25 0.25 ] [ 0.75211 0.25 0.75 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.79965441464 "source-unit" "angstrom" } "b" { "source-value" 16.7231030917 "source-unit" "angstrom" } "c" { "source-value" 5.71125828 "source-unit" "angstrom" } }