{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.571117 0.027539 0.323296 ] [ 0.918617 0.01303 0.68323 ] [ 0.733616 0.979108 0.491471 ] [ 0.733616 0.020892 0.991471 ] [ 0.918617 0.98697 0.18323 ] [ 0.571117 0.972461 0.823296 ] [ 0.443241 0.512022 0.180903 ] [ 0.104572 0.504142 0.822597 ] [ 0.217569 0.50756 0.99001 ] [ 0.217569 0.49244 0.49001 ] [ 0.104572 0.495858 0.322597 ] [ 0.443241 0.487978 0.680903 ] [ 0.345445 0.001558 0.096569 ] [ 0.147638 0.005075 0.90196 ] [ 0.147638 0.994925 0.40196 ] [ 0.345445 0.998442 0.596569 ] [ 0.852163 0.50371 0.597771 ] [ 0.852163 0.49629 0.097771 ] [ 0.114503 0.248237 0.118428 ] [ 0.607145 0.248357 0.099771 ] [ 0.398244 0.235753 0.414247 ] [ 0.914901 0.241508 0.402466 ] [ 0.59036 0.252213 0.581873 ] [ 0.098879 0.253272 0.60016 ] [ 0.901053 0.241832 0.888989 ] [ 0.393615 0.2397 0.902761 ] [ 0.199415 0.046041 0.996443 ] [ 0.079862 0.027786 0.299828 ] [ 0.511114 0.045878 0.707138 ] [ 0.511114 0.954122 0.207138 ] [ 0.079862 0.972214 0.799828 ] [ 0.199415 0.953959 0.496443 ] [ 0.098879 0.746728 0.10016 ] [ 0.59036 0.747787 0.081873 ] [ 0.901053 0.758168 0.388989 ] [ 0.393615 0.7603 0.402761 ] [ 0.607145 0.751643 0.599771 ] [ 0.114503 0.751763 0.618428 ] [ 0.914901 0.758492 0.902466 ] [ 0.398244 0.764247 0.914247 ] [ 0.815676 0.555973 0.508292 ] [ 0.910954 0.542072 0.200883 ] [ 0.465941 0.565416 0.785713 ] [ 0.465941 0.434584 0.285713 ] [ 0.910954 0.457928 0.700883 ] [ 0.815676 0.444027 0.008292 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 5.59630245 "source-unit" "angstrom" } "b" { "source-value" 5.57201534 "source-unit" "angstrom" } "c" { "source-value" 21.09742503 "source-unit" "angstrom" } "beta" { "source-value" 105.28008285 "source-unit" "degree" } }