{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.478494 ] [ 0.666667 0.333333 0.811828 ] [ 0.333333 0.666667 0.145161 ] [ 0 0 0.00594 ] [ 0.666667 0.333333 0.339273 ] [ 0.333333 0.666667 0.672607 ] [ 0.676376 0.931998 0.983789 ] [ 0.068002 0.744378 0.983789 ] [ 0.255622 0.323624 0.983789 ] [ 0.343043 0.265331 0.317122 ] [ 0.734669 0.077712 0.317122 ] [ 0.922288 0.656957 0.317122 ] [ 0.00971 0.598665 0.650455 ] [ 0.401335 0.411045 0.650455 ] [ 0.588955 0.99029 0.650455 ] ] } "species" { "source-value" [ "In" "In" "In" "P" "P" "P" "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" 6.1651739 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }