{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.875611 0 0.046417 ] [ 0.022709 0 0.749841 ] [ 0.624251 0 0.961988 ] [ 0.374709 0.5 0.034756 ] [ 0.880084 0 0.451989 ] [ 0.119788 0.5 0.548678 ] [ 0.118534 0.5 0.955303 ] [ 0.37415 0.5 0.463138 ] [ 0.967224 0.5 0.25137 ] [ 0.626127 0 0.529996 ] [ 0.56195 0.5 0.751233 ] [ 0.453979 0 0.248209 ] [ 0.990706 0.5 0.096748 ] [ 0.524294 0.5 0.597255 ] [ 0.246906 0 0.993791 ] [ 0.248511 0 0.508397 ] [ 0.514755 0.5 0.902129 ] [ 0.360991 0.5 0.248628 ] [ 0.871098 0 0.254489 ] [ 0.002628 0 0.905418 ] [ 0.484312 0 0.403409 ] [ 0.485149 0 0.093942 ] [ 0.99737 0.5 0.404622 ] [ 0.655048 0 0.760364 ] [ 0.000435 0 0.595152 ] [ 0.118546 0.5 0.747514 ] [ 0.751238 0.5 0.487432 ] [ 0.748899 0.5 0.007792 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 10.5819342174 "source-unit" "angstrom" } "b" { "source-value" 3.16011646636 "source-unit" "angstrom" } "c" { "source-value" 12.1302564464 "source-unit" "angstrom" } "beta" { "source-value" 90.0248159469 "source-unit" "degree" } }