{ "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" [ [ 0.296778 0.478419 0.668081 ] [ 0.703222 0.521581 0.331919 ] [ 0.925101 0.994383 0.608672 ] [ 0.074899 0.005617 0.391328 ] [ 0.074899 0.494383 0.891328 ] [ 0.925101 0.505617 0.108672 ] [ 0.703222 0.978419 0.831919 ] [ 0.296778 0.021581 0.168081 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.708869 0.428778 0.648744 ] [ 0.291131 0.571222 0.351256 ] [ 0.708869 0.071222 0.148744 ] [ 0.291131 0.928778 0.851256 ] [ 0.281106 0.25813 0.844342 ] [ 0.541316 0.291431 0.684986 ] [ 0.281106 0.24187 0.344342 ] [ 0.112718 0.215338 0.561359 ] [ 0.711772 0.301011 0.504377 ] [ 0.541316 0.208569 0.184986 ] [ 0.887282 0.784662 0.438641 ] [ 0.718894 0.74187 0.155658 ] [ 0.887282 0.715338 0.938641 ] [ 0.112718 0.284662 0.061359 ] [ 0.458684 0.708569 0.315014 ] [ 0.288228 0.801011 0.995623 ] [ 0.879188 0.242543 0.25695 ] [ 0.718894 0.75813 0.655658 ] [ 0.458684 0.791431 0.815014 ] [ 0.711772 0.198989 0.004377 ] [ 0.120812 0.742543 0.24305 ] [ 0.879188 0.257457 0.75695 ] [ 0.288228 0.698989 0.495623 ] [ 0.120812 0.757457 0.74305 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Co" "Co" "B" "B" "B" "B" "O" "O" "O" "O" "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" 7.26860434683 "source-unit" "angstrom" } "b" { "source-value" 4.3990996 "source-unit" "angstrom" } "c" { "source-value" 9.61798208987 "source-unit" "angstrom" } "beta" { "source-value" 108.436139751 "source-unit" "degree" } }