{ "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" [ [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.668439 0.113913 0.679492 ] [ 0.668439 0.386087 0.179492 ] [ 0.331561 0.886087 0.320508 ] [ 0.331561 0.613913 0.820508 ] ] } "species" { "source-value" [ "Ni" "Ni" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.76092086 "source-unit" "angstrom" } "b" { "source-value" 5.35066314 "source-unit" "angstrom" } "c" { "source-value" 5.4460292 "source-unit" "angstrom" } "beta" { "source-value" 120.57968418 "source-unit" "degree" } }