{ "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" [ [ 0.912463 0.3436 0.127657 ] [ 0.087537 0.6564 0.872343 ] [ 0.412463 0.1564 0.627657 ] [ 0 0.5 0.5 ] [ 0.587537 0.8436 0.372343 ] [ 0.5 0 0 ] [ 0.963869 0.166554 0.807467 ] [ 0.463869 0.333446 0.307467 ] [ 0.036131 0.833446 0.192533 ] [ 0.536131 0.666554 0.692533 ] [ 0.676238 0.127303 0.817068 ] [ 0.176238 0.372697 0.317068 ] [ 0.627084 0.513539 0.362989 ] [ 0.486355 0.709067 0.855144 ] [ 0.513645 0.290933 0.144856 ] [ 0.958808 0.656633 0.08872 ] [ 0.323762 0.872697 0.182932 ] [ 0.823762 0.627303 0.682932 ] [ 0.041192 0.343367 0.91128 ] [ 0.986355 0.790933 0.355144 ] [ 0.013645 0.209067 0.644856 ] [ 0.372916 0.486461 0.637011 ] [ 0.127084 0.986461 0.862989 ] [ 0.872916 0.013539 0.137011 ] [ 0.541192 0.156633 0.41128 ] [ 0.458808 0.843367 0.58872 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 5.31620534735 "source-unit" "angstrom" } "b" { "source-value" 6.7773743 "source-unit" "angstrom" } "c" { "source-value" 9.09651211978 "source-unit" "angstrom" } "beta" { "source-value" 95.0828835227 "source-unit" "degree" } }