{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.981286 0 ] [ 0.5 0.521257 0 ] [ 0 0.497566 0.83348 ] [ 0.5 0.001704 0.166995 ] [ 0.5 0.001704 0.833005 ] [ 0 0.497566 0.16652 ] [ 0 0.481286 0.5 ] [ 0.5 0.021257 0.5 ] [ 0 0.997566 0.33348 ] [ 0.5 0.501704 0.666995 ] [ 0.5 0.501704 0.333005 ] [ 0 0.997566 0.66652 ] [ 0 0.707437 0 ] [ 0 0.207437 0.5 ] [ 0 0.290748 0 ] [ 0 0.802837 0.833145 ] [ 0.5 0.495646 0.898537 ] [ 0.5 0.498077 0.767921 ] [ 0.5 0.002832 0.934469 ] [ 0 0.193004 0.831832 ] [ 0 0.802837 0.166855 ] [ 0.5 0.002832 0.065531 ] [ 0.5 0.498077 0.232079 ] [ 0.5 0.495646 0.101463 ] [ 0 0.193004 0.168168 ] [ 0 0.790748 0.5 ] [ 0 0.302837 0.333145 ] [ 0.5 0.995646 0.398537 ] [ 0.5 0.998077 0.267921 ] [ 0.5 0.502832 0.434469 ] [ 0 0.693004 0.331832 ] [ 0 0.302837 0.666855 ] [ 0.5 0.502832 0.565531 ] [ 0.5 0.998077 0.732079 ] [ 0.5 0.995646 0.601463 ] [ 0 0.693004 0.668168 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.21342096 "source-unit" "angstrom" } "b" { "source-value" 6.60903422 "source-unit" "angstrom" } "c" { "source-value" 20.24714819 "source-unit" "angstrom" } }