{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.706969 0.131347 ] [ 0.5 0.293031 0.868653 ] [ 0 0.793031 0.631347 ] [ 0 0.206969 0.368653 ] ] } "species" { "source-value" [ "Ni" "Ni" "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" 3.59974017 "source-unit" "angstrom" } "b" { "source-value" 4.75473068 "source-unit" "angstrom" } "c" { "source-value" 5.82776484 "source-unit" "angstrom" } }