{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.764175 0.495331 0.211665 ] [ 0.764175 0.004669 0.211665 ] [ 0.235825 0.504669 0.788335 ] [ 0.235825 0.995331 0.788335 ] [ 0.216237 0.25 0.336802 ] [ 0.783763 0.75 0.663198 ] [ 0.272678 0.25 0.079011 ] [ 0.727322 0.75 0.920989 ] [ 0.281166 0.75 0.433245 ] [ 0.718834 0.25 0.566755 ] [ 0.694504 0.75 0.061304 ] [ 0.047886 0.25 0.146728 ] [ 0.458484 0.25 0.192645 ] [ 0.197096 0.952041 0.322499 ] [ 0.197096 0.547959 0.322499 ] [ 0.870258 0.25 0.40921 ] [ 0.595301 0.75 0.471512 ] [ 0.404699 0.25 0.528488 ] [ 0.129742 0.75 0.59079 ] [ 0.802904 0.452041 0.677501 ] [ 0.802904 0.047959 0.677501 ] [ 0.541516 0.75 0.807355 ] [ 0.952114 0.75 0.853272 ] [ 0.305496 0.25 0.938696 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "B" "B" "As" "As" "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" 5.46718264 "source-unit" "angstrom" } "b" { "source-value" 6.58286872 "source-unit" "angstrom" } "c" { "source-value" 9.2324734 "source-unit" "angstrom" } "beta" { "source-value" 93.04466276 "source-unit" "degree" } }