{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.97975 0.73111 ] [ 0 0.943071 0 ] [ 0.5 0.97975 0.26889 ] [ 0 0.47975 0.23111 ] [ 0.5 0.443071 0.5 ] [ 0 0.47975 0.76889 ] [ 0.5 0.489493 0 ] [ 0 0.989493 0.5 ] [ 0 0.841598 0.669599 ] [ 0 0.841598 0.330401 ] [ 0.255672 0.63687 0 ] [ 0.744328 0.63687 0 ] [ 0.5 0.341598 0.169599 ] [ 0.5 0.341598 0.830401 ] [ 0.755672 0.13687 0.5 ] [ 0.244328 0.13687 0.5 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "V" "V" "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" 6.02005816369 "source-unit" "angstrom" } "b" { "source-value" 6.6291501916 "source-unit" "angstrom" } "c" { "source-value" 8.48332647927 "source-unit" "angstrom" } }