{ "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" [ [ 0.75 0.834786 0.914791 ] [ 0.25 0.165214 0.085209 ] [ 0.75 0.334786 0.585209 ] [ 0.25 0.665214 0.414791 ] [ 0.75 0.011875 0.30243 ] [ 0.25 0.988125 0.69757 ] [ 0.75 0.511875 0.19757 ] [ 0.25 0.488125 0.80243 ] [ 0.75 0.770508 0.579115 ] [ 0.25 0.229492 0.420885 ] [ 0.75 0.270508 0.920885 ] [ 0.25 0.729492 0.079115 ] [ 0.75 0.983433 0.580659 ] [ 0.25 0.016567 0.419341 ] [ 0.75 0.483433 0.919341 ] [ 0.25 0.516567 0.080659 ] [ 0.75 0.701176 0.429322 ] [ 0.25 0.298824 0.570678 ] [ 0.75 0.201176 0.070678 ] [ 0.25 0.798824 0.929322 ] [ 0.976019 0.693909 0.652135 ] [ 0.476019 0.306091 0.347865 ] [ 0.523981 0.193909 0.847865 ] [ 0.023981 0.806091 0.152135 ] [ 0.023981 0.306091 0.347865 ] [ 0.523981 0.693909 0.652135 ] [ 0.476019 0.806091 0.152135 ] [ 0.976019 0.193909 0.847865 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 5.96864276 "source-unit" "angstrom" } "b" { "source-value" 7.7748077 "source-unit" "angstrom" } "c" { "source-value" 10.55811845 "source-unit" "angstrom" } }