{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.657846 0.949679 0 ] [ 0 0 0 ] [ 0.949679 0.342154 0 ] [ 0.050321 0.657846 0 ] [ 0.342154 0.050321 0 ] [ 0.157846 0.449679 0.5 ] [ 0.5 0.5 0.5 ] [ 0.449679 0.842154 0.5 ] [ 0.550321 0.157846 0.5 ] [ 0.842154 0.550321 0.5 ] [ 0.141469 0.17492 0.5 ] [ 0.858531 0.82508 0.5 ] [ 0.17492 0.858531 0.5 ] [ 0.82508 0.141469 0.5 ] [ 0.641469 0.67492 0 ] [ 0.358531 0.32508 0 ] [ 0.67492 0.358531 0 ] [ 0.32508 0.641469 0 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.49073991906 "source-unit" "angstrom" } "c" { "source-value" 3.17452464825 "source-unit" "angstrom" } }