{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.232036 0.489205 0.498169 ] [ 0.567746 0.530661 0.843161 ] [ 0.906046 0.491505 0.181332 ] [ 0.767964 0.989205 0.501831 ] [ 0.432254 0.030661 0.156839 ] [ 0.093954 0.991505 0.818668 ] [ 0.714325 0.187045 0.276427 ] [ 0.044558 0.196005 0.601679 ] [ 0.380316 0.195759 0.928058 ] [ 0.216694 0.307907 0.266676 ] [ 0.955442 0.696005 0.398321 ] [ 0.619684 0.695759 0.071942 ] [ 0.285675 0.687045 0.723573 ] [ 0.783306 0.807907 0.733324 ] [ 0.879247 0.300305 0.937813 ] [ 0.548568 0.301607 0.599348 ] [ 0.120753 0.800305 0.062187 ] [ 0.451432 0.801607 0.400652 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.59450941 "source-unit" "angstrom" } "b" { "source-value" 4.65097372 "source-unit" "angstrom" } "c" { "source-value" 7.71425832 "source-unit" "angstrom" } "beta" { "source-value" 93.21273267 "source-unit" "degree" } }