{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmab" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.586946 0.257676 ] [ 0.25 0.086946 0.742324 ] [ 0.75 0.913054 0.257676 ] [ 0.75 0.413054 0.742324 ] [ 0.75 0.47327 0.532863 ] [ 0.25 0.217009 0.919991 ] [ 0.25 0.717009 0.080009 ] [ 0.25 0.02673 0.532863 ] [ 0 0.25 0.662776 ] [ 0.25 0.52673 0.467137 ] [ 0.75 0.97327 0.467137 ] [ 0.025918 0.444601 0.19278 ] [ 0.525918 0.555399 0.80722 ] [ 0.974082 0.555399 0.80722 ] [ 0.474082 0.444601 0.19278 ] [ 0.75 0.282991 0.919991 ] [ 0.5 0.25 0.662776 ] [ 0.474082 0.944601 0.80722 ] [ 0.75 0.782991 0.080009 ] [ 0.525918 0.055399 0.19278 ] [ 0.974082 0.055399 0.19278 ] [ 0 0.75 0.337224 ] [ 0.5 0.75 0.337224 ] [ 0.025918 0.944601 0.80722 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61279331 "source-unit" "angstrom" } "b" { "source-value" 7.66678671 "source-unit" "angstrom" } "c" { "source-value" 7.98263014 "source-unit" "angstrom" } }