{ "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" [ [ 0.615686 0 0.149234 ] [ 0.009106 0.818718 0.47127 ] [ 0.509106 0.681282 0.47127 ] [ 0.718039 0.5 0.117195 ] [ 0.115686 0.5 0.149234 ] [ 0.509106 0.318718 0.47127 ] [ 0.009106 0.181282 0.47127 ] [ 0.218039 0 0.117195 ] [ 0.724627 0.823116 0.789303 ] [ 0.751754 0.5 0.616349 ] [ 0.51986 0 0.570507 ] [ 0.724627 0.176884 0.789303 ] [ 0.224627 0.323116 0.789303 ] [ 0.251754 0 0.616349 ] [ 0.01986 0.5 0.570507 ] [ 0.224627 0.676884 0.789303 ] [ 0.837774 0 0.296877 ] [ 0.403816 0.656739 0.734372 ] [ 0.903816 0.843261 0.734372 ] [ 0.063556 0.789866 0.134015 ] [ 0.563556 0.710134 0.134015 ] [ 0.902677 0.5 0.991918 ] [ 0.337774 0.5 0.296877 ] [ 0.903816 0.156739 0.734372 ] [ 0.403816 0.343261 0.734372 ] [ 0.563556 0.289866 0.134015 ] [ 0.063556 0.210134 0.134015 ] [ 0.402677 0 0.991918 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.38150395 "source-unit" "angstrom" } "b" { "source-value" 8.23344035 "source-unit" "angstrom" } "c" { "source-value" 5.77572776 "source-unit" "angstrom" } "beta" { "source-value" 104.05895157 "source-unit" "degree" } }