{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.837229 0.185605 0.182587 ] [ 0.598363 0.804611 0.981845 ] [ 0.66472 0.3107 0.818776 ] [ 0.837229 0.814395 0.682587 ] [ 0.906312 0.696644 0.021403 ] [ 0.66472 0.6893 0.318776 ] [ 0.098363 0.695389 0.481845 ] [ 0.406312 0.803356 0.521403 ] [ 0.337229 0.685605 0.182587 ] [ 0.098363 0.304611 0.981845 ] [ 0.16472 0.8107 0.818776 ] [ 0.337229 0.314395 0.682587 ] [ 0.406312 0.196644 0.021403 ] [ 0.16472 0.1893 0.318776 ] [ 0.598363 0.195389 0.481845 ] [ 0.906312 0.303356 0.521403 ] [ 0.511012 0.172361 0.897354 ] [ 0.756383 0.008587 0.460322 ] [ 0.746651 0.505786 0.040447 ] [ 0.746651 0.494214 0.540447 ] [ 0.756383 0.991413 0.960322 ] [ 0.490202 0.174089 0.603733 ] [ 0.002014 0.902328 0.250805 ] [ 0.990202 0.325911 0.103733 ] [ 0.011012 0.327639 0.397354 ] [ 0.502014 0.597672 0.750805 ] [ 0.011012 0.672361 0.897354 ] [ 0.256383 0.508587 0.460322 ] [ 0.246651 0.005786 0.040447 ] [ 0.246651 0.994214 0.540447 ] [ 0.256383 0.491413 0.960322 ] [ 0.990202 0.674089 0.603733 ] [ 0.502014 0.402328 0.250805 ] [ 0.490202 0.825911 0.103733 ] [ 0.511012 0.827639 0.397354 ] [ 0.002014 0.097672 0.750805 ] [ 0.844678 0.907559 0.988376 ] [ 0.411801 0.242156 0.609058 ] [ 0.727631 0.631825 0.26678 ] [ 0.179819 0.626492 0.423322 ] [ 0.521712 0.694214 0.841272 ] [ 0.021712 0.805786 0.341272 ] [ 0.844678 0.092441 0.488376 ] [ 0.995306 0.24877 0.480628 ] [ 0.983882 0.801813 0.16082 ] [ 0.078317 0.317682 0.208777 ] [ 0.831949 0.376051 0.406331 ] [ 0.418479 0.493446 0.725908 ] [ 0.519223 0.995816 0.915947 ] [ 0.765396 0.079961 0.053979 ] [ 0.918479 0.006554 0.225908 ] [ 0.976643 0.506162 0.081038 ] [ 0.325263 0.879724 0.574907 ] [ 0.831949 0.623949 0.906331 ] [ 0.658823 0.417221 0.516611 ] [ 0.091713 0.255886 0.398026 ] [ 0.476643 0.993838 0.581038 ] [ 0.658823 0.582779 0.016611 ] [ 0.591713 0.244114 0.898026 ] [ 0.679819 0.873508 0.923322 ] [ 0.019223 0.504184 0.415947 ] [ 0.670957 0.123805 0.59705 ] [ 0.770036 0.380934 0.123238 ] [ 0.737475 0.582818 0.446242 ] [ 0.737678 0.882815 0.379406 ] [ 0.423073 0.196217 0.795799 ] [ 0.505643 0.259202 0.525947 ] [ 0.581817 0.489366 0.769389 ] [ 0.495306 0.25123 0.980628 ] [ 0.727631 0.368175 0.76678 ] [ 0.911801 0.257844 0.109058 ] [ 0.081817 0.010634 0.269389 ] [ 0.737678 0.117185 0.879406 ] [ 0.765396 0.920039 0.553979 ] [ 0.773331 0.127902 0.232414 ] [ 0.670957 0.876195 0.09705 ] [ 0.825263 0.620276 0.074907 ] [ 0.773331 0.872098 0.732414 ] [ 0.770036 0.619066 0.623238 ] [ 0.483882 0.698187 0.66082 ] [ 0.005643 0.240798 0.025947 ] [ 0.923073 0.303783 0.295799 ] [ 0.578317 0.182318 0.708777 ] [ 0.737475 0.417182 0.946242 ] [ 0.344678 0.407559 0.988376 ] [ 0.911801 0.742156 0.609058 ] [ 0.227631 0.131825 0.26678 ] [ 0.679819 0.126492 0.423322 ] [ 0.021712 0.194214 0.841272 ] [ 0.521712 0.305786 0.341272 ] [ 0.344678 0.592441 0.488376 ] [ 0.495306 0.74877 0.480628 ] [ 0.483882 0.301813 0.16082 ] [ 0.578317 0.817682 0.208777 ] [ 0.331949 0.876051 0.406331 ] [ 0.918479 0.993446 0.725908 ] [ 0.019223 0.495816 0.915947 ] [ 0.265396 0.579961 0.053979 ] [ 0.418479 0.506554 0.225908 ] [ 0.476643 0.006162 0.081038 ] [ 0.825263 0.379724 0.574907 ] [ 0.331949 0.123949 0.906331 ] [ 0.158823 0.917221 0.516611 ] [ 0.591713 0.755886 0.398026 ] [ 0.976643 0.493838 0.581038 ] [ 0.158823 0.082779 0.016611 ] [ 0.091713 0.744114 0.898026 ] [ 0.179819 0.373508 0.923322 ] [ 0.519223 0.004184 0.415947 ] [ 0.170957 0.623805 0.59705 ] [ 0.270036 0.880934 0.123238 ] [ 0.237475 0.082818 0.446242 ] [ 0.237678 0.382815 0.379406 ] [ 0.923073 0.696217 0.795799 ] [ 0.005643 0.759202 0.525947 ] [ 0.081817 0.989366 0.769389 ] [ 0.995306 0.75123 0.980628 ] [ 0.227631 0.868175 0.76678 ] [ 0.411801 0.757844 0.109058 ] [ 0.581817 0.510634 0.269389 ] [ 0.237678 0.617185 0.879406 ] [ 0.265396 0.420039 0.553979 ] [ 0.273331 0.627902 0.232414 ] [ 0.170957 0.376195 0.09705 ] [ 0.325263 0.120276 0.074907 ] [ 0.273331 0.372098 0.732414 ] [ 0.270036 0.119066 0.623238 ] [ 0.983882 0.198187 0.66082 ] [ 0.505643 0.740798 0.025947 ] [ 0.423073 0.803783 0.295799 ] [ 0.078317 0.682318 0.708777 ] [ 0.237475 0.917182 0.946242 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 17.20081349 "source-unit" "angstrom" } "b" { "source-value" 8.51481434 "source-unit" "angstrom" } "c" { "source-value" 15.44831329 "source-unit" "angstrom" } "beta" { "source-value" 119.53407562 "source-unit" "degree" } }