{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.998212 0.042972 0.00998 ] [ 0.017847 0.597572 0.821838 ] [ 0.991202 0.105474 0.670143 ] [ 0.954773 0.538047 0.489272 ] [ 0.000862 0.058793 0.332241 ] [ 0.108232 0.501611 0.165364 ] [ 0.504557 0.924202 0.836108 ] [ 0.504816 0.481522 0.987451 ] [ 0.43268 0.457645 0.334707 ] [ 0.494124 0.89501 0.498154 ] [ 0.494409 0.45993 0.676232 ] [ 0.471656 0.055174 0.159413 ] [ 0.22258 0.242661 0.24398 ] [ 0.326933 0.665057 0.889983 ] [ 0.168516 0.391013 0.731104 ] [ 0.168704 0.33035 0.405953 ] [ 0.289783 0.295439 0.080433 ] [ 0.634919 0.63706 0.425519 ] [ 0.699485 0.680897 0.765533 ] [ 0.1886 0.88673 0.742696 ] [ 0.260766 0.14855 0.903377 ] [ 0.161167 0.835591 0.422148 ] [ 0.340325 0.139985 0.58504 ] [ 0.151935 0.783175 0.090907 ] [ 0.430612 0.72107 0.242154 ] [ 0.318305 0.641602 0.569681 ] [ 0.641167 0.818855 0.072193 ] [ 0.735637 0.189491 0.925777 ] [ 0.809099 0.365461 0.600815 ] [ 0.70008 0.226698 0.270302 ] [ 0.825193 0.851836 0.581011 ] [ 0.848955 0.702092 0.930796 ] [ 0.941059 0.733313 0.253264 ] [ 0.704386 0.128318 0.435208 ] [ 0.796824 0.305511 0.101599 ] [ 0.661604 0.161292 0.749625 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.34716579 "source-unit" "angstrom" } "b" { "source-value" 5.39899325 "source-unit" "angstrom" } "c" { "source-value" 15.22232261 "source-unit" "angstrom" } "alpha" { "source-value" 95.36893177 "source-unit" "degree" } "beta" { "source-value" 90.00024195 "source-unit" "degree" } "gamma" { "source-value" 92.82328485 "source-unit" "degree" } }