{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.999222 0.754633 ] [ 0.5 0.999222 0.245367 ] [ 0.5 0.500609 0.736417 ] [ 0.5 0.500609 0.263583 ] [ 0 0.745711 0 ] [ 0 0.251094 0.5 ] [ 0 0.748909 0.5 ] [ 0 0.253711 0 ] [ 0 0.707101 0.770388 ] [ 0 0.707101 0.229612 ] [ 0.5 0.269114 0.5 ] [ 0.5 0.733386 0.5 ] [ 0 0.495801 0.5 ] [ 0 0.290739 0.769178 ] [ 0 0.999511 0 ] [ 0.5 0.68599 0 ] [ 0 0.290739 0.230822 ] [ 0.5 0.312735 0 ] [ 0 0.008581 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Co" "Co" "Co" "Co" "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" 3.93300229914 "source-unit" "angstrom" } "b" { "source-value" 7.639392687 "source-unit" "angstrom" } "c" { "source-value" 8.02851384941 "source-unit" "angstrom" } }