{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.96106 0.75 ] [ 0.66528 0.721724 0.143189 ] [ 0 0.03894 0.25 ] [ 0.66528 0.278276 0.643189 ] [ 0.33472 0.278276 0.856811 ] [ 0.33472 0.721724 0.356811 ] [ 0.141396 0.794212 0.666381 ] [ 0.478904 0.237245 0.981658 ] [ 0.858604 0.205788 0.333619 ] [ 0.167263 0.042009 0.881592 ] [ 0.80588 0.512692 0.100878 ] [ 0.858604 0.794212 0.833619 ] [ 0.5 0.434024 0.75 ] [ 0.832737 0.957991 0.118408 ] [ 0.521096 0.762755 0.018342 ] [ 0.19412 0.512692 0.399122 ] [ 0.832737 0.042009 0.618408 ] [ 0.19412 0.487308 0.899122 ] [ 0.5 0.565976 0.25 ] [ 0.521096 0.237245 0.518342 ] [ 0.141396 0.205788 0.166381 ] [ 0.167263 0.957991 0.381592 ] [ 0.478904 0.762755 0.481658 ] [ 0.80588 0.487308 0.600878 ] [ 0.5 0.051981 0.75 ] [ 0.5 0.948019 0.25 ] [ 0.833687 0.232881 0.809943 ] [ 0.166313 0.767119 0.190057 ] [ 0.166313 0.232881 0.690057 ] [ 0.833687 0.767119 0.309943 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.96133392283 "source-unit" "angstrom" } "b" { "source-value" 6.32300804 "source-unit" "angstrom" } "c" { "source-value" 10.9212540173 "source-unit" "angstrom" } "beta" { "source-value" 90.2411176266 "source-unit" "degree" } }