{ "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" [ [ 0.005815 0.725057 0.750776 ] [ 0.5 0.5 0 ] [ 0.505815 0.774943 0.250776 ] [ 0.494185 0.225057 0.749224 ] [ 0 0 0.5 ] [ 0.994185 0.274943 0.249224 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.927242 0.405892 0.749023 ] [ 0.072758 0.594108 0.250977 ] [ 0.427242 0.094108 0.249023 ] [ 0.572758 0.905892 0.750977 ] [ 0.232802 0.908004 0.748459 ] [ 0.277063 0.165567 0.032526 ] [ 0.273981 0.948706 0.239536 ] [ 0.726019 0.051294 0.760464 ] [ 0.722937 0.834433 0.967474 ] [ 0.773981 0.551294 0.739536 ] [ 0.714057 0.837503 0.530312 ] [ 0.285943 0.162497 0.469688 ] [ 0.267198 0.408004 0.751541 ] [ 0.785943 0.337503 0.969688 ] [ 0.214057 0.662497 0.030312 ] [ 0.226019 0.448706 0.260464 ] [ 0.777063 0.334433 0.532526 ] [ 0.767198 0.091996 0.251541 ] [ 0.732802 0.591996 0.248459 ] [ 0.222937 0.665567 0.467474 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "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" 4.81870812199 "source-unit" "angstrom" } "b" { "source-value" 10.412879791 "source-unit" "angstrom" } "c" { "source-value" 6.04262709388 "source-unit" "angstrom" } "beta" { "source-value" 90.3918764817 "source-unit" "degree" } }