{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.856424 0.75 0.137577 ] [ 0.831929 0.25 0.484536 ] [ 0.785515 0.75 0.71562 ] [ 0.386346 0.75 0.077783 ] [ 0.613654 0.25 0.922217 ] [ 0.214485 0.25 0.28438 ] [ 0.168071 0.75 0.515464 ] [ 0.143576 0.25 0.862423 ] [ 0.937837 0.75 0.578195 ] [ 0.628026 0.75 0.042397 ] [ 0.897918 0.25 0.795913 ] [ 0.392714 0.25 0.182424 ] [ 0.607286 0.75 0.817576 ] [ 0.102082 0.75 0.204087 ] [ 0.371974 0.25 0.957603 ] [ 0.062163 0.25 0.421805 ] [ 0.89596 0.25 0.036881 ] [ 0.803745 0.25 0.230706 ] [ 0.717669 0.75 0.401436 ] [ 0.665729 0.25 0.609283 ] [ 0.334271 0.75 0.390717 ] [ 0.282331 0.25 0.598564 ] [ 0.196255 0.75 0.769294 ] [ 0.10404 0.75 0.963119 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.74625146 "source-unit" "angstrom" } "b" { "source-value" 3.06260621 "source-unit" "angstrom" } "c" { "source-value" 11.84908172 "source-unit" "angstrom" } "beta" { "source-value" 96.28758293 "source-unit" "degree" } }