{ "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" [ [ 0.787408 0.877688 0.449972 ] [ 0.712592 0.377688 0.050028 ] [ 0.287408 0.622312 0.949972 ] [ 0.212592 0.122312 0.550028 ] [ 0.864534 0.59433 0.247854 ] [ 0.635466 0.09433 0.252146 ] [ 0.364534 0.90567 0.747854 ] [ 0.135466 0.40567 0.752146 ] [ 0.848805 0.360617 0.789736 ] [ 0.832768 0.440708 0.304783 ] [ 0.795421 0.085103 0.456104 ] [ 0.764961 0.188139 0.108255 ] [ 0.735039 0.688139 0.391745 ] [ 0.704579 0.585103 0.043896 ] [ 0.667232 0.940708 0.195217 ] [ 0.651195 0.860617 0.710264 ] [ 0.348805 0.139383 0.289736 ] [ 0.332768 0.059292 0.804783 ] [ 0.295421 0.414897 0.956104 ] [ 0.264961 0.311861 0.608255 ] [ 0.235039 0.811861 0.891745 ] [ 0.204579 0.914897 0.543896 ] [ 0.167232 0.559292 0.695217 ] [ 0.151195 0.639383 0.210264 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.00653876142 "source-unit" "angstrom" } "b" { "source-value" 9.77519151 "source-unit" "angstrom" } "c" { "source-value" 7.02101289099 "source-unit" "angstrom" } "beta" { "source-value" 92.379093025 "source-unit" "degree" } }