{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.310854 0.991738 ] [ 0.75 0.189146 0.491738 ] [ 0.25 0.689146 0.008262 ] [ 0.25 0.810854 0.508262 ] [ 0.25 0.426704 0.709027 ] [ 0.75 0.573296 0.290973 ] [ 0.25 0.073296 0.209027 ] [ 0.75 0.926704 0.790973 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.80397777 "source-unit" "angstrom" } "b" { "source-value" 7.00967607 "source-unit" "angstrom" } "c" { "source-value" 7.45095855 "source-unit" "angstrom" } }