{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.107317 0.950444 ] [ 0.5 0.892683 0.049556 ] [ 0.5 0.892683 0.450444 ] [ 0.5 0.107317 0.549556 ] [ 0 0.607317 0.950444 ] [ 0 0.392683 0.049556 ] [ 0 0.392683 0.450444 ] [ 0 0.607317 0.549556 ] [ 0 0.914214 0.25 ] [ 0 0.085786 0.75 ] [ 0.5 0.414214 0.25 ] [ 0.5 0.585786 0.75 ] [ 0 0.169749 0.25 ] [ 0 0.830251 0.75 ] [ 0.5 0.669749 0.25 ] [ 0.5 0.330251 0.75 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Au" "Au" "Au" "Au" "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" 4.12641445 "source-unit" "angstrom" } "b" { "source-value" 12.46775916 "source-unit" "angstrom" } "c" { "source-value" 8.77501578 "source-unit" "angstrom" } }