{ "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" [ [ 0.191452 0.843023 0.702236 ] [ 0.191452 0.156977 0.202236 ] [ 0.685174 0.145157 0.701551 ] [ 0.685174 0.854843 0.201551 ] [ 0.441167 0.683561 0.452636 ] [ 0.441167 0.316439 0.952636 ] [ 0.990494 0.30047 0.449507 ] [ 0.990494 0.69953 0.949507 ] [ 0.20537 0.927989 0.459847 ] [ 0.857437 0.429237 0.9471 ] [ 0.324776 0.379065 0.453867 ] [ 0.717824 0.895567 0.934468 ] [ 0.283152 0.221726 0.701242 ] [ 0.803154 0.221459 0.197547 ] [ 0.20537 0.072011 0.959847 ] [ 0.857437 0.570763 0.4471 ] [ 0.324776 0.620935 0.953867 ] [ 0.717824 0.104433 0.434468 ] [ 0.283152 0.778274 0.201242 ] [ 0.803154 0.778541 0.697547 ] ] } "species" { "source-value" [ "Ca" "Ca" "La" "La" "Mn" "Mn" "Nb" "Nb" "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" 6.03295923 "source-unit" "angstrom" } "b" { "source-value" 6.31559165 "source-unit" "angstrom" } "c" { "source-value" 9.58347564 "source-unit" "angstrom" } "beta" { "source-value" 129.00142072 "source-unit" "degree" } }