{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.105817 0.921834 0.25 ] [ 0.605817 0.578166 0.75 ] [ 0.394183 0.421834 0.25 ] [ 0.894183 0.078166 0.75 ] [ 0.869091 0.798057 0.25 ] [ 0.369091 0.701943 0.75 ] [ 0.630909 0.298057 0.25 ] [ 0.130909 0.201943 0.75 ] [ 0.267707 0.892509 0.092786 ] [ 0.767707 0.607491 0.907214 ] [ 0.232293 0.392509 0.407214 ] [ 0.732293 0.107491 0.592786 ] [ 0.732293 0.107491 0.907214 ] [ 0.232293 0.392509 0.092786 ] [ 0.767707 0.607491 0.592786 ] [ 0.267707 0.892509 0.407214 ] [ 0.038392 0.057346 0.25 ] [ 0.538392 0.442654 0.75 ] [ 0.461608 0.557346 0.25 ] [ 0.961608 0.942654 0.75 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 6.60436033 "source-unit" "angstrom" } "b" { "source-value" 9.50254312 "source-unit" "angstrom" } "c" { "source-value" 10.2294105 "source-unit" "angstrom" } }