{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.03713 0.75 0.649903 ] [ 0.96287 0.25 0.350097 ] [ 0.53713 0.25 0.850097 ] [ 0.46287 0.75 0.149903 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.043265 0.25 0.682587 ] [ 0.456735 0.25 0.182587 ] [ 0.543265 0.75 0.817413 ] [ 0.956735 0.75 0.317413 ] [ 0.750637 0.25 0.614974 ] [ 0.199988 0.441694 0.626471 ] [ 0.250637 0.75 0.885026 ] [ 0.199988 0.058306 0.626471 ] [ 0.699988 0.558306 0.873529 ] [ 0.749363 0.25 0.114974 ] [ 0.800012 0.558306 0.373529 ] [ 0.249363 0.75 0.385026 ] [ 0.938637 0.75 0.135482 ] [ 0.800012 0.941694 0.373529 ] [ 0.300012 0.058306 0.126471 ] [ 0.061363 0.25 0.864518 ] [ 0.438637 0.25 0.364518 ] [ 0.300012 0.441694 0.126471 ] [ 0.699988 0.941694 0.873529 ] [ 0.561363 0.75 0.635482 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "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" 5.24200733 "source-unit" "angstrom" } "b" { "source-value" 6.88033936 "source-unit" "angstrom" } "c" { "source-value" 9.13425355 "source-unit" "angstrom" } }