{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.666993 ] [ 0.5 0.5 0.166993 ] [ 0.5 0.5 0.833007 ] [ 0 0 0.333007 ] [ 0.19295 0.80705 0.165591 ] [ 0.193354 0.806646 0.5 ] [ 0.19295 0.80705 0.834409 ] [ 0.69295 0.69295 0.665591 ] [ 0.693354 0.693354 0 ] [ 0.69295 0.69295 0.334409 ] [ 0.30705 0.30705 0.665591 ] [ 0.306646 0.306646 0 ] [ 0.30705 0.30705 0.334409 ] [ 0.80705 0.19295 0.165591 ] [ 0.806646 0.193354 0.5 ] [ 0.80705 0.19295 0.834409 ] ] } "species" { "source-value" [ "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "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" 4.75989907 "source-unit" "angstrom" } "c" { "source-value" 9.5891707 "source-unit" "angstrom" } }