{ "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" [ [ 0.213075 0.836116 0.222118 ] [ 0.286925 0.336116 0.277882 ] [ 0.786925 0.163884 0.777882 ] [ 0.713075 0.663884 0.722118 ] [ 0.681276 0.650118 0.395262 ] [ 0.818724 0.150118 0.104738 ] [ 0.318724 0.349882 0.604738 ] [ 0.181276 0.849882 0.895262 ] [ 0.188161 0.700241 0.520326 ] [ 0.311839 0.200241 0.979674 ] [ 0.811839 0.299759 0.479674 ] [ 0.688161 0.799759 0.020326 ] [ 0.751624 0.034726 0.332249 ] [ 0.748376 0.534726 0.167751 ] [ 0.248376 0.965274 0.667751 ] [ 0.251624 0.465274 0.832249 ] [ 0.301208 0.689348 0.411707 ] [ 0.198792 0.189348 0.088293 ] [ 0.698792 0.310652 0.588293 ] [ 0.801208 0.810652 0.911707 ] [ 0.407212 0.831484 0.026018 ] [ 0.092788 0.331484 0.473982 ] [ 0.592788 0.168516 0.973982 ] [ 0.907212 0.668516 0.526018 ] [ 0.011836 0.558341 0.208391 ] [ 0.488164 0.058341 0.291609 ] [ 0.988164 0.441659 0.791609 ] [ 0.511836 0.941659 0.708391 ] [ 0.733292 0.614174 0.053428 ] [ 0.766708 0.114174 0.446572 ] [ 0.266708 0.385826 0.946572 ] [ 0.233292 0.885826 0.553428 ] [ 0.326067 0.640818 0.846727 ] [ 0.173933 0.140818 0.653273 ] [ 0.673933 0.359182 0.153273 ] [ 0.826067 0.859182 0.346727 ] [ 0.332652 0.596853 0.599792 ] [ 0.167348 0.096853 0.900208 ] [ 0.667348 0.403147 0.400208 ] [ 0.832652 0.903147 0.099792 ] [ 0.052375 0.882262 0.736186 ] [ 0.447625 0.382262 0.763814 ] [ 0.947625 0.117738 0.263814 ] [ 0.552375 0.617738 0.236186 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.38745475661 "source-unit" "angstrom" } "b" { "source-value" 8.34136616 "source-unit" "angstrom" } "c" { "source-value" 12.9089726705 "source-unit" "angstrom" } "beta" { "source-value" 90.2870156157 "source-unit" "degree" } }