{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.817108 0.75 ] [ 0 0.182892 0.25 ] [ 0.5 0.68078 0.25 ] [ 0.5 0.31922 0.75 ] [ 0.288028 0.604361 0.557492 ] [ 0.711972 0.604361 0.942508 ] [ 0.711972 0.395639 0.442508 ] [ 0.288028 0.395639 0.057492 ] [ 0.247244 0.12621 0.60446 ] [ 0.752756 0.12621 0.89554 ] [ 0.752756 0.87379 0.39554 ] [ 0.247244 0.87379 0.10446 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mo" "Mo" "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" 4.86462970217 "source-unit" "angstrom" } "b" { "source-value" 5.85538486 "source-unit" "angstrom" } "c" { "source-value" 5.05931501735 "source-unit" "angstrom" } "beta" { "source-value" 90.9768042104 "source-unit" "degree" } }