{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.941239 0.605853 ] [ 0.5 0.058761 0.394147 ] [ 0.5 0.058761 0.105853 ] [ 0.5 0.941239 0.894147 ] [ 0 0.821512 0.517642 ] [ 0 0.178488 0.482358 ] [ 0 0.233746 0.75 ] [ 0 0.766254 0.25 ] [ 0 0.040405 0.75 ] [ 0 0.959595 0.25 ] [ 0 0.821512 0.982358 ] [ 0 0.178488 0.017642 ] [ 0 0.441239 0.605853 ] [ 0 0.558761 0.394147 ] [ 0 0.558761 0.105853 ] [ 0 0.441239 0.894147 ] [ 0.5 0.321512 0.517642 ] [ 0.5 0.678488 0.482358 ] [ 0.5 0.733746 0.75 ] [ 0.5 0.266254 0.25 ] [ 0.5 0.540405 0.75 ] [ 0.5 0.459595 0.25 ] [ 0.5 0.321512 0.982358 ] [ 0.5 0.678488 0.017642 ] [ 0.5 0.140295 0.622814 ] [ 0.5 0.859705 0.377186 ] [ 0.5 0.859705 0.122814 ] [ 0.5 0.140295 0.877186 ] [ 0 0.148684 0.25 ] [ 0 0.851316 0.75 ] [ 0 0.640295 0.622814 ] [ 0 0.359705 0.377186 ] [ 0 0.359705 0.122814 ] [ 0 0.640295 0.877186 ] [ 0.5 0.648684 0.25 ] [ 0.5 0.351316 0.75 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.93735931 "source-unit" "angstrom" } "b" { "source-value" 13.1402121 "source-unit" "angstrom" } "c" { "source-value" 11.00719018 "source-unit" "angstrom" } }