{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.505145 0.142377 ] [ 0 0.005145 0.857623 ] [ 0 0.206823 0.679912 ] [ 0.5 0.706823 0.320088 ] [ 0 0.210854 0.111476 ] [ 0.5 0.710854 0.888524 ] [ 0 0.332577 0.565166 ] [ 0.5 0.832577 0.434834 ] ] } "species" { "source-value" [ "Cu" "Cu" "C" "C" "Cl" "Cl" "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" 3.66227286 "source-unit" "angstrom" } "b" { "source-value" 5.04768403 "source-unit" "angstrom" } "c" { "source-value" 8.38342123 "source-unit" "angstrom" } }