{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.40578 0.224845 ] [ 0.75 0.59422 0.775155 ] [ 0.25 0.90578 0.275155 ] [ 0.75 0.09422 0.724845 ] [ 0.25 0.788713 0.68556 ] [ 0.75 0.211287 0.31444 ] [ 0.75 0.711287 0.18556 ] [ 0.25 0.288713 0.81444 ] [ 0.25 0.397871 0.686805 ] [ 0.75 0.602129 0.313195 ] [ 0.25 0.897871 0.813195 ] [ 0.75 0.102129 0.186805 ] [ 0.25 0.094341 0.597826 ] [ 0.75 0.905659 0.402174 ] [ 0.75 0.405659 0.097826 ] [ 0.25 0.594341 0.902174 ] [ 0.75 0.091597 0.888354 ] [ 0.25 0.908403 0.111646 ] [ 0.75 0.591597 0.611646 ] [ 0.25 0.408403 0.388354 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.57647731 "source-unit" "angstrom" } "b" { "source-value" 6.47133734 "source-unit" "angstrom" } "c" { "source-value" 18.02380705 "source-unit" "angstrom" } }