{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.135069 0.903276 0.937929 ] [ 0.864931 0.403276 0.562071 ] [ 0.135069 0.596724 0.437929 ] [ 0.864931 0.096724 0.062071 ] [ 0.354508 0.207365 0.072662 ] [ 0.645492 0.707365 0.427338 ] [ 0.776365 0.081773 0.531861 ] [ 0.223635 0.581773 0.968139 ] [ 0.776365 0.418227 0.031861 ] [ 0.223635 0.918227 0.468139 ] [ 0.354508 0.292635 0.572662 ] [ 0.645492 0.792635 0.927338 ] [ 0.14702 0.081778 0.01768 ] [ 0.368179 0.897805 0.330123 ] [ 0.414186 0.614253 0.406885 ] [ 0.445703 0.218261 0.31533 ] [ 0.554297 0.718261 0.18467 ] [ 0.047356 0.719256 0.899608 ] [ 0.017993 0.463748 0.832524 ] [ 0.585814 0.114253 0.093115 ] [ 0.982007 0.963748 0.667476 ] [ 0.952644 0.219256 0.600392 ] [ 0.631821 0.397805 0.169877 ] [ 0.85298 0.581778 0.48232 ] [ 0.14702 0.418222 0.51768 ] [ 0.368179 0.602195 0.830123 ] [ 0.047356 0.780744 0.399608 ] [ 0.017993 0.036252 0.332524 ] [ 0.414186 0.885747 0.906885 ] [ 0.982007 0.536252 0.167476 ] [ 0.952644 0.280744 0.100392 ] [ 0.445703 0.281739 0.81533 ] [ 0.554297 0.781739 0.68467 ] [ 0.585814 0.385747 0.593115 ] [ 0.631821 0.102195 0.669877 ] [ 0.85298 0.918222 0.98232 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "I" "I" "I" "I" "I" "I" "I" "I" "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" 6.72020342 "source-unit" "angstrom" } "b" { "source-value" 11.05572741 "source-unit" "angstrom" } "c" { "source-value" 8.37196024 "source-unit" "angstrom" } "beta" { "source-value" 118.04835861 "source-unit" "degree" } }