{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.223084 0.723084 0.206994 ] [ 0.776916 0.723084 0.206994 ] [ 0.723084 0.776916 0.793006 ] [ 0.276916 0.776916 0.793006 ] [ 0.5 0.5 0.5 ] [ 0.776916 0.276916 0.206994 ] [ 0 0.5 0.929602 ] [ 0.223084 0.276916 0.206994 ] [ 0.276916 0.223084 0.793006 ] [ 0.723084 0.223084 0.793006 ] [ 0 0 0.5 ] [ 0.5 0 0.070398 ] [ 0 0 0 ] [ 0 0.5 0.458715 ] [ 0.5 0.5 0 ] [ 0.5 0 0.541285 ] [ 0.5 0.746505 0.985478 ] [ 0.253495 0.5 0.014523 ] [ 0 0.729776 0.386007 ] [ 0.5 0.770224 0.613993 ] [ 0.770224 0.5 0.386007 ] [ 0.246505 0 0.985478 ] [ 0 0.246505 0.014523 ] [ 0.5 0.5 0.770403 ] [ 0.5 0.5 0.229597 ] [ 0 0.753495 0.014523 ] [ 0.753495 0 0.985478 ] [ 0.229776 0.5 0.386007 ] [ 0.5 0.229776 0.613993 ] [ 0 0.5 0.682407 ] [ 0.5 0 0.317593 ] [ 0 0.270224 0.386007 ] [ 0.270224 0 0.613993 ] [ 0.746505 0.5 0.014523 ] [ 0 0 0.770403 ] [ 0 0 0.229597 ] [ 0.5 0.253495 0.985478 ] [ 0.729776 0 0.613993 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.75062922 "source-unit" "angstrom" } "c" { "source-value" 9.13313522 "source-unit" "angstrom" } }