{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.763249 0.002704 ] [ 0 0.738648 0.333885 ] [ 0 0.765206 0.662763 ] [ 0.5 0.234794 0.162763 ] [ 0.5 0.236751 0.502704 ] [ 0.5 0.261352 0.833885 ] [ 0.5 0.948496 0.600692 ] [ 0 0.051504 0.100692 ] [ 0.5 0.942597 0.269384 ] [ 0.5 0.948919 0.93321 ] [ 0 0.057403 0.769384 ] [ 0 0.051081 0.43321 ] [ 0 0.441761 0.230272 ] [ 0 0.446646 0.565159 ] [ 0 0.453777 0.901932 ] [ 0.5 0.553354 0.065159 ] [ 0.5 0.546223 0.401932 ] [ 0.5 0.558239 0.730272 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.09385671 "source-unit" "angstrom" } "b" { "source-value" 4.69570447 "source-unit" "angstrom" } "c" { "source-value" 14.0870261 "source-unit" "angstrom" } }