{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.995206 0.466066 0.480881 ] [ 0.504794 0.966066 0.480881 ] [ 0.495206 0.033934 0.980881 ] [ 0.004794 0.533934 0.980881 ] [ 0.001186 0.978739 0.213098 ] [ 0.498814 0.478739 0.213098 ] [ 0.501186 0.521261 0.713098 ] [ 0.998814 0.021261 0.713098 ] [ 0.151029 0.37687 0.751753 ] [ 0.1328 0.085528 0.453693 ] [ 0.206989 0.26213 0.112194 ] [ 0.293011 0.76213 0.112194 ] [ 0.3672 0.585528 0.453693 ] [ 0.348971 0.87687 0.751753 ] [ 0.651029 0.12313 0.251753 ] [ 0.6328 0.414472 0.953693 ] [ 0.706989 0.23787 0.612194 ] [ 0.793011 0.73787 0.612194 ] [ 0.8672 0.914472 0.953693 ] [ 0.848971 0.62313 0.251753 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Y" "Y" "Y" "Y" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.87908371 "source-unit" "angstrom" } "b" { "source-value" 6.00962804 "source-unit" "angstrom" } "c" { "source-value" 8.508557 "source-unit" "angstrom" } }