{ "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" [ [ 0.752065 0.243054 0.465097 ] [ 0.747935 0.743054 0.034903 ] [ 0.247935 0.756946 0.534903 ] [ 0.252065 0.256946 0.965097 ] [ 0.546086 0.770348 0.341021 ] [ 0.953914 0.270348 0.158979 ] [ 0.453914 0.229652 0.658979 ] [ 0.046086 0.729652 0.841021 ] [ 0.460366 0.18882 0.221821 ] [ 0.960366 0.31118 0.721821 ] [ 0.039634 0.68882 0.278179 ] [ 0.539634 0.81118 0.778179 ] [ 0.851999 0.483399 0.865628 ] [ 0.670922 0.238978 0.087455 ] [ 0.854652 0.989678 0.85353 ] [ 0.354652 0.510322 0.35353 ] [ 0.145348 0.010322 0.14647 ] [ 0.128909 0.669344 0.719125 ] [ 0.329078 0.761022 0.912545 ] [ 0.351999 0.016601 0.365628 ] [ 0.829078 0.738978 0.412545 ] [ 0.648001 0.983399 0.634372 ] [ 0.170922 0.261022 0.587455 ] [ 0.871091 0.330656 0.280875 ] [ 0.645348 0.489678 0.64647 ] [ 0.371091 0.169344 0.780875 ] [ 0.628909 0.830656 0.219125 ] [ 0.148001 0.516601 0.134372 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "Ge" "Ge" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "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" 6.71937031589 "source-unit" "angstrom" } "b" { "source-value" 6.9594565 "source-unit" "angstrom" } "c" { "source-value" 17.4039320653 "source-unit" "angstrom" } "beta" { "source-value" 93.3097287348 "source-unit" "degree" } }