{ "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 0.845049 0 ] [ 0.5 0.154951 0 ] [ 0 0.154951 0.5 ] [ 0 0.845049 0.5 ] [ 0 0.345049 0 ] [ 0 0.654951 0 ] [ 0.5 0.654951 0.5 ] [ 0.5 0.345049 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.694973 0 0.195426 ] [ 0.760732 0.25 0.25 ] [ 0.260732 0.25 0.25 ] [ 0.194973 0 0.304574 ] [ 0.805027 0 0.695426 ] [ 0.239268 0.25 0.75 ] [ 0.739268 0.25 0.75 ] [ 0.305027 0 0.804574 ] [ 0.194973 0.5 0.195426 ] [ 0.260732 0.75 0.25 ] [ 0.760732 0.75 0.25 ] [ 0.694973 0.5 0.304574 ] [ 0.305027 0.5 0.695426 ] [ 0.739268 0.75 0.75 ] [ 0.239268 0.75 0.75 ] [ 0.805027 0.5 0.804574 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.48364401 "source-unit" "angstrom" } "b" { "source-value" 11.83156796 "source-unit" "angstrom" } "c" { "source-value" 5.47871512 "source-unit" "angstrom" } }