{ "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" [ [ 0.964381 0.25 0.725811 ] [ 0.535619 0.25 0.225811 ] [ 0.464381 0.75 0.774189 ] [ 0.035619 0.75 0.274189 ] [ 0.410532 0.25 0.904492 ] [ 0.089468 0.25 0.404492 ] [ 0.910532 0.75 0.595508 ] [ 0.589468 0.75 0.095508 ] [ 0.277389 0.041172 0.829639 ] [ 0.222611 0.041172 0.329639 ] [ 0.163882 0.25 0.554933 ] [ 0.732677 0.25 0.888102 ] [ 0.767323 0.25 0.388102 ] [ 0.336118 0.25 0.054933 ] [ 0.277389 0.458828 0.829639 ] [ 0.222611 0.458828 0.329639 ] [ 0.722611 0.541172 0.170361 ] [ 0.777389 0.541172 0.670361 ] [ 0.836118 0.75 0.445067 ] [ 0.663882 0.75 0.945067 ] [ 0.232677 0.75 0.611898 ] [ 0.267323 0.75 0.111898 ] [ 0.777389 0.958828 0.670361 ] [ 0.722611 0.958828 0.170361 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "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" 5.10768838 "source-unit" "angstrom" } "b" { "source-value" 6.35603945 "source-unit" "angstrom" } "c" { "source-value" 10.70406781 "source-unit" "angstrom" } }