{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.656911 0 0.308209 ] [ 0.343089 0 0.691791 ] [ 0.156911 0.5 0.308209 ] [ 0.843089 0.5 0.691791 ] [ 0.901388 0.747977 0.197939 ] [ 0.901388 0.252023 0.197939 ] [ 0.150808 0 0.306942 ] [ 0.849192 0 0.693058 ] [ 0.098612 0.252023 0.802061 ] [ 0.098612 0.747977 0.802061 ] [ 0.401388 0.247977 0.197939 ] [ 0.401388 0.752023 0.197939 ] [ 0.650808 0.5 0.306942 ] [ 0.349192 0.5 0.693058 ] [ 0.598612 0.752023 0.802061 ] [ 0.598612 0.247977 0.802061 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 9.71461266 "source-unit" "angstrom" } "b" { "source-value" 6.38707614 "source-unit" "angstrom" } "c" { "source-value" 4.8517351 "source-unit" "angstrom" } "beta" { "source-value" 93.61940994 "source-unit" "degree" } }