{ "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 0.133238 0.979299 ] [ 0 0.866762 0.479299 ] [ 0 0.866762 0.020701 ] [ 0 0.133238 0.520701 ] [ 0.5 0.633238 0.979299 ] [ 0.5 0.366762 0.479299 ] [ 0.5 0.366762 0.020701 ] [ 0.5 0.633238 0.520701 ] [ 0 0.204128 0.25 ] [ 0 0.795872 0.75 ] [ 0.5 0.704128 0.25 ] [ 0.5 0.295872 0.75 ] [ 0.5 0.228754 0.585388 ] [ 0.5 0.228754 0.914612 ] [ 0.5 0.771246 0.085388 ] [ 0.5 0.771246 0.414612 ] [ 0 0.728754 0.585388 ] [ 0 0.728754 0.914612 ] [ 0 0.271246 0.085388 ] [ 0 0.271246 0.414612 ] [ 0.5 0.932685 0.632419 ] [ 0.5 0.067315 0.132419 ] [ 0 0.149822 0.75 ] [ 0.5 0.067315 0.367581 ] [ 0.5 0.932685 0.867581 ] [ 0 0.850178 0.25 ] [ 0 0.432685 0.632419 ] [ 0 0.567315 0.132419 ] [ 0.5 0.649822 0.75 ] [ 0 0.567315 0.367581 ] [ 0 0.432685 0.867581 ] [ 0.5 0.350178 0.25 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.34871343 "source-unit" "angstrom" } "b" { "source-value" 14.46510854 "source-unit" "angstrom" } "c" { "source-value" 16.04789591 "source-unit" "angstrom" } }