{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.695673 0 0.164152 ] [ 0.338121 0 0.331986 ] [ 0.64499 0 0.68378 ] [ 0.328703 0 0.837819 ] [ 0.980391 0 0.483958 ] [ 0.008314 0 0.000464 ] [ 0.195673 0.5 0.164152 ] [ 0.838121 0.5 0.331986 ] [ 0.14499 0.5 0.68378 ] [ 0.828703 0.5 0.837819 ] [ 0.480391 0.5 0.483958 ] [ 0.508314 0.5 0.000464 ] [ 0.835798 0.802385 0.333044 ] [ 0.224441 0 0.04042 ] [ 0.77802 0 0.956788 ] [ 0.42906 0 0.625713 ] [ 0.835798 0.197615 0.333044 ] [ 0.335798 0.302385 0.333044 ] [ 0.724441 0.5 0.04042 ] [ 0.27802 0.5 0.956788 ] [ 0.92906 0.5 0.625713 ] [ 0.335798 0.697615 0.333044 ] [ 0.150005 0.800758 0.650306 ] [ 0.899981 0 0.702968 ] [ 0.573677 0 0.375229 ] [ 0.099149 0 0.300989 ] [ 0.150005 0.199242 0.650306 ] [ 0.013936 0.69612 0.014518 ] [ 0.013936 0.30388 0.014518 ] [ 0.650005 0.300758 0.650306 ] [ 0.399981 0.5 0.702968 ] [ 0.073677 0.5 0.375229 ] [ 0.599149 0.5 0.300989 ] [ 0.650005 0.699242 0.650306 ] [ 0.513936 0.19612 0.014518 ] [ 0.513936 0.80388 0.014518 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.18630351 "source-unit" "angstrom" } "b" { "source-value" 6.69006471 "source-unit" "angstrom" } "c" { "source-value" 7.4048173 "source-unit" "angstrom" } "beta" { "source-value" 112.34793314 "source-unit" "degree" } }