{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.517575 0.928621 0.74864 ] [ 0.982425 0.428621 0.75136 ] [ 0.017575 0.571379 0.24864 ] [ 0.482425 0.071379 0.25136 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.820687 0.711811 0.554974 ] [ 0.679313 0.211811 0.945026 ] [ 0.179313 0.288189 0.445026 ] [ 0.320687 0.788189 0.054974 ] [ 0.898491 0.966551 0.256358 ] [ 0.601509 0.466551 0.243642 ] [ 0.796332 0.684943 0.951039 ] [ 0.703668 0.184943 0.548961 ] [ 0.203668 0.315057 0.048961 ] [ 0.296332 0.815057 0.451039 ] [ 0.398491 0.533449 0.756358 ] [ 0.101509 0.033449 0.743642 ] ] } "species" { "source-value" [ "Li" "Li" "Nd" "Nd" "Nd" "Nd" "Os" "Os" "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" 5.47632002271 "source-unit" "angstrom" } "b" { "source-value" 5.8500686 "source-unit" "angstrom" } "c" { "source-value" 7.80832846018 "source-unit" "angstrom" } "beta" { "source-value" 90.5921152526 "source-unit" "degree" } }