{ "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" [ [ 0.368666 0 0.349502 ] [ 0.881096 0 0.607158 ] [ 0.131334 0.5 0.149795 ] [ 0.876677 0 0.099684 ] [ 0.125025 0 0.40343 ] [ 0.123375 0 0.88791 ] [ 0.877511 0.5 0.862007 ] [ 0.623402 0 0.643911 ] [ 0.868666 0.5 0.349502 ] [ 0.381096 0.5 0.607158 ] [ 0.631334 0 0.149795 ] [ 0.376677 0.5 0.099684 ] [ 0.625025 0.5 0.40343 ] [ 0.623375 0.5 0.88791 ] [ 0.377511 0 0.862007 ] [ 0.123402 0.5 0.643911 ] [ 0.684729 0 0.508838 ] [ 0.682707 0.5 0.755461 ] [ 0.817944 0.5 0.996456 ] [ 0.322168 0.5 0.238976 ] [ 0.494749 0.5 0.499857 ] [ 0.175005 0 0.259504 ] [ 0.997279 0.5 0.746836 ] [ 0.996841 0 0.995654 ] [ 0.184729 0.5 0.508838 ] [ 0.182707 0 0.755461 ] [ 0.317944 0 0.996456 ] [ 0.822168 0 0.238976 ] [ 0.994749 0 0.499857 ] [ 0.675005 0.5 0.259504 ] [ 0.497279 0 0.746836 ] [ 0.496841 0.5 0.995654 ] [ 0.824766 0 0.745816 ] [ 0.000177 0.5 0.252241 ] [ 0.17469 0.5 0.000984 ] [ 0.322624 0 0.495978 ] [ 0.324766 0.5 0.745816 ] [ 0.500177 0 0.252241 ] [ 0.67469 0 0.000984 ] [ 0.822624 0.5 0.495978 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 13.01700902 "source-unit" "angstrom" } "b" { "source-value" 3.50637729 "source-unit" "angstrom" } "c" { "source-value" 12.15906688 "source-unit" "angstrom" } "beta" { "source-value" 117.69836612 "source-unit" "degree" } }