{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.308434 0.901254 ] [ 0.75 0.808434 0.598746 ] [ 0.25 0.191566 0.401254 ] [ 0.75 0.691566 0.098746 ] [ 0.25 0.930082 0.885415 ] [ 0.75 0.430082 0.614585 ] [ 0.25 0.569918 0.385415 ] [ 0.75 0.069918 0.114585 ] [ 0.25 0.626687 0.836449 ] [ 0.75 0.126687 0.663551 ] [ 0.25 0.873313 0.336449 ] [ 0.75 0.373313 0.163551 ] [ 0.25 0.11509 0.99586 ] [ 0.25 0.627591 0.970528 ] [ 0.25 0.502388 0.764167 ] [ 0.25 0.745482 0.760997 ] [ 0.75 0.245482 0.739003 ] [ 0.75 0.002388 0.735833 ] [ 0.75 0.127591 0.529472 ] [ 0.75 0.61509 0.50414 ] [ 0.25 0.38491 0.49586 ] [ 0.25 0.872409 0.470528 ] [ 0.25 0.997612 0.264167 ] [ 0.25 0.754518 0.260997 ] [ 0.75 0.254518 0.239003 ] [ 0.75 0.497612 0.235833 ] [ 0.75 0.372409 0.029472 ] [ 0.75 0.88491 0.00414 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "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" 3.16310915 "source-unit" "angstrom" } "b" { "source-value" 9.34797842 "source-unit" "angstrom" } "c" { "source-value" 9.35478568 "source-unit" "angstrom" } }