{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.839486 0.660514 0.493981 ] [ 0.339486 0.839486 0.506019 ] [ 0.660514 0.160514 0.506019 ] [ 0.160514 0.339486 0.493981 ] [ 0.134842 0.634842 0.964341 ] [ 0.634842 0.865158 0.035659 ] [ 0.865158 0.365158 0.964341 ] [ 0.365158 0.134842 0.035659 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.859409 0.359409 0.287742 ] [ 0.359409 0.140591 0.712258 ] [ 0.140591 0.640591 0.287742 ] [ 0.640591 0.859409 0.712258 ] [ 0.5 0 0.170512 ] [ 0 0.5 0.829488 ] [ 0.077299 0.835678 0.809805 ] [ 0.164322 0.077299 0.190195 ] [ 0.835678 0.922701 0.190195 ] [ 0.922701 0.164322 0.809805 ] [ 0.577299 0.664322 0.190195 ] [ 0.422701 0.335678 0.190195 ] [ 0.335678 0.577299 0.809805 ] [ 0.664322 0.422701 0.809805 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Be" "Be" "Be" "Be" "Si" "Si" "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" 7.5182296 "source-unit" "angstrom" } "c" { "source-value" 4.90634418 "source-unit" "angstrom" } }