{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.722326 0.935382 0.341399 ] [ 0.777674 0.435382 0.658601 ] [ 0.222326 0.564618 0.341399 ] [ 0.277674 0.064618 0.658601 ] [ 0.577178 0.621594 0.337902 ] [ 0.922822 0.121594 0.662098 ] [ 0.077178 0.878406 0.337902 ] [ 0.422822 0.378406 0.662098 ] [ 0.904033 0.347627 0.113345 ] [ 0.404033 0.152373 0.113345 ] [ 0.595967 0.847627 0.886655 ] [ 0.095967 0.652373 0.886655 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 5.90137658 "source-unit" "angstrom" } "b" { "source-value" 5.95325651 "source-unit" "angstrom" } "c" { "source-value" 6.19834533 "source-unit" "angstrom" } "beta" { "source-value" 118.28078748 "source-unit" "degree" } }