{ "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" [ [ 0.734609 0.95918 0.325829 ] [ 0.765391 0.45918 0.174171 ] [ 0.265391 0.04082 0.674171 ] [ 0.234609 0.54082 0.825829 ] [ 0.226538 0.20287 0.07179 ] [ 0.273462 0.70287 0.42821 ] [ 0.773462 0.79713 0.92821 ] [ 0.726538 0.29713 0.57179 ] [ 0.943288 0.265133 0.130623 ] [ 0.556712 0.765133 0.369377 ] [ 0.056712 0.734867 0.869377 ] [ 0.443288 0.234867 0.630623 ] [ 0.156031 0.078015 0.889554 ] [ 0.343969 0.578015 0.610446 ] [ 0.843969 0.921985 0.110446 ] [ 0.656031 0.421985 0.389554 ] [ 0.928179 0.396342 0.750705 ] [ 0.571821 0.896342 0.749295 ] [ 0.071821 0.603658 0.249295 ] [ 0.428179 0.103658 0.250705 ] [ 0.892569 0.125015 0.522278 ] [ 0.607431 0.625015 0.977722 ] [ 0.107431 0.874985 0.477722 ] [ 0.392569 0.374985 0.022278 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "As" "As" "As" "As" "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" 5.12905773831 "source-unit" "angstrom" } "b" { "source-value" 8.27734872 "source-unit" "angstrom" } "c" { "source-value" 7.72046433764 "source-unit" "angstrom" } "beta" { "source-value" 105.018454214 "source-unit" "degree" } }