{ "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" [ [ 0.199591 0.75 0.37801 ] [ 0.800409 0.25 0.62199 ] [ 0.853359 0.25 0.205317 ] [ 0.146641 0.75 0.794683 ] [ 0.280029 0.494222 0.002133 ] [ 0.349563 0.25 0.199661 ] [ 0.650437 0.75 0.800339 ] [ 0.719971 0.505778 0.997867 ] [ 0.719971 0.994222 0.997867 ] [ 0.280029 0.005778 0.002133 ] [ 0.61307 0.503118 0.210781 ] [ 0.38693 0.003118 0.789219 ] [ 0.61307 0.996882 0.210781 ] [ 0.38693 0.496882 0.789219 ] [ 0.020996 0.75 0.003084 ] [ 0.979004 0.25 0.996916 ] [ 0.807959 0.75 0.606186 ] [ 0.192041 0.25 0.393814 ] ] } "species" { "source-value" [ "Cs" "Cs" "Ti" "Ti" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.82540742179 "source-unit" "angstrom" } "b" { "source-value" 7.85482013 "source-unit" "angstrom" } "c" { "source-value" 10.3924712902 "source-unit" "angstrom" } "beta" { "source-value" 106.247559534 "source-unit" "degree" } }