{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.758209 0.5 0.309095 ] [ 0.241791 0.5 0.690905 ] [ 0.258209 0 0.309095 ] [ 0.741791 0 0.690905 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.892708 0 0.553414 ] [ 0.138579 0.5 0.980089 ] [ 0.107292 0 0.446586 ] [ 0.861421 0.5 0.019911 ] [ 0.392708 0.5 0.553414 ] [ 0.638579 0 0.980089 ] [ 0.607292 0.5 0.446586 ] [ 0.361421 0 0.019911 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Ni" "Ni" "S" "S" "S" "S" "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" 12.1638388019 "source-unit" "angstrom" } "b" { "source-value" 3.22423519762 "source-unit" "angstrom" } "c" { "source-value" 5.85472657538 "source-unit" "angstrom" } "beta" { "source-value" 115.769799606 "source-unit" "degree" } }