{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.129716 0.62662 ] [ 0.5 0.126158 0.370016 ] [ 0.5 0.144491 0.854875 ] [ 0 0.355509 0.354875 ] [ 0 0.373842 0.870016 ] [ 0.5 0.370284 0.12662 ] [ 0.5 0.629716 0.87338 ] [ 0 0.626158 0.129984 ] [ 0 0.644491 0.645125 ] [ 0.5 0.855509 0.145125 ] [ 0.5 0.873842 0.629984 ] [ 0 0.870284 0.37338 ] [ 0 0.113529 0.113984 ] [ 0.5 0.386471 0.613984 ] [ 0.5 0.613529 0.386016 ] [ 0 0.886471 0.886016 ] [ 0 0.091874 0.902785 ] [ 0 0.105686 0.311566 ] [ 0.5 0.190871 0.605572 ] [ 0 0.309129 0.105572 ] [ 0.5 0.394314 0.811566 ] [ 0.5 0.408126 0.402785 ] [ 0.5 0.591874 0.597215 ] [ 0.5 0.605686 0.188434 ] [ 0 0.690871 0.894428 ] [ 0.5 0.809129 0.394428 ] [ 0 0.894314 0.688434 ] [ 0 0.908126 0.097215 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 4.51600582 "source-unit" "angstrom" } "b" { "source-value" 9.06203095 "source-unit" "angstrom" } "c" { "source-value" 9.23015847 "source-unit" "angstrom" } }