{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.7572 0.245063 0.266703 ] [ 0.7572 0.254937 0.766703 ] [ 0.2428 0.745063 0.233297 ] [ 0.2428 0.754937 0.733297 ] [ 0.746322 0.74671 0.001388 ] [ 0.253678 0.25329 0.998612 ] [ 0.746322 0.75329 0.501388 ] [ 0.253678 0.24671 0.498612 ] [ 0.128175 0.099571 0.377944 ] [ 0.871825 0.900429 0.622056 ] [ 0.386777 0.362446 0.134134 ] [ 0.613223 0.862446 0.365866 ] [ 0.758399 0.498015 0.515173 ] [ 0.241601 0.998015 0.984827 ] [ 0.871825 0.599571 0.122056 ] [ 0.241601 0.501985 0.484827 ] [ 0.128175 0.400429 0.877944 ] [ 0.386777 0.137554 0.634134 ] [ 0.758399 0.001985 0.015173 ] [ 0.613223 0.637554 0.865866 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "C" "C" "C" "C" "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" 6.44366499117 "source-unit" "angstrom" } "b" { "source-value" 5.06699609 "source-unit" "angstrom" } "c" { "source-value" 8.13136657127 "source-unit" "angstrom" } "beta" { "source-value" 107.597225463 "source-unit" "degree" } }