{ "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" [ [ 0.466064 0.75 0.149192 ] [ 0.533936 0.25 0.850808 ] [ 0.966064 0.25 0.350808 ] [ 0.033936 0.75 0.649192 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.039336 0.25 0.676443 ] [ 0.460664 0.25 0.176443 ] [ 0.960664 0.75 0.323557 ] [ 0.539336 0.75 0.823557 ] [ 0.184834 0.434294 0.621964 ] [ 0.684834 0.565706 0.878036 ] [ 0.815166 0.934294 0.378036 ] [ 0.315166 0.065706 0.121964 ] [ 0.815166 0.565706 0.378036 ] [ 0.315166 0.434294 0.121964 ] [ 0.184834 0.065706 0.621964 ] [ 0.684834 0.934294 0.878036 ] [ 0.949719 0.75 0.147751 ] [ 0.449719 0.25 0.352249 ] [ 0.050281 0.25 0.852249 ] [ 0.550281 0.75 0.647751 ] [ 0.251292 0.75 0.883746 ] [ 0.751292 0.25 0.616254 ] [ 0.748708 0.25 0.116254 ] [ 0.248708 0.75 0.383746 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 5.07975935 "source-unit" "angstrom" } "b" { "source-value" 6.8703336 "source-unit" "angstrom" } "c" { "source-value" 8.97502107 "source-unit" "angstrom" } }