{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.131079 ] [ 0 0.75 0.368921 ] [ 0 0.25 0.631079 ] [ 0.5 0.25 0.868921 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.277403 0.25 0.498336 ] [ 0.5 0.471382 0.270911 ] [ 0.5 0.028618 0.270911 ] [ 0.722597 0.25 0.498336 ] [ 0.777403 0.25 0.001664 ] [ 0 0.028618 0.229089 ] [ 0 0.471382 0.229089 ] [ 0.222597 0.25 0.001664 ] [ 0.777403 0.75 0.998336 ] [ 0 0.971382 0.770911 ] [ 0 0.528618 0.770911 ] [ 0.222597 0.75 0.998336 ] [ 0.277403 0.75 0.501664 ] [ 0.5 0.528618 0.729089 ] [ 0.5 0.971382 0.729089 ] [ 0.722597 0.75 0.501664 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "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" 5.73914666 "source-unit" "angstrom" } "b" { "source-value" 5.75280953 "source-unit" "angstrom" } "c" { "source-value" 8.47045944 "source-unit" "angstrom" } }