{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.723025 0.010225 ] [ 0.5 0.276975 0.510225 ] [ 0 0.813865 0.491545 ] [ 0.5 0.186135 0.991545 ] [ 0 0.994404 0.368415 ] [ 0.5 0.005596 0.868415 ] [ 0 0.510153 0.661614 ] [ 0.5 0.489847 0.161614 ] ] } "species" { "source-value" [ "Fe" "Fe" "H" "H" "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" 3.06009053 "source-unit" "angstrom" } "b" { "source-value" 4.48451209 "source-unit" "angstrom" } "c" { "source-value" 5.04316316 "source-unit" "angstrom" } }