{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2mb" } "basis-atom-coordinates" { "source-value" [ [ 0.036557 0.75 0.769343 ] [ 0.236551 0 0 ] [ 0.497296 0.75 0.735785 ] [ 0.497296 0.25 0.264215 ] [ 0.709535 0.5 0.5 ] [ 0.709535 0 0.5 ] [ 0.036557 0.25 0.230657 ] [ 0.001885 0.25 0.769367 ] [ 0.303477 0.5 0.5 ] [ 0.303477 0 0.5 ] [ 0.236551 0.5 0 ] [ 0.001885 0.75 0.230633 ] [ 0.751447 0 0 ] [ 0.480062 0.25 0.737797 ] [ 0.480062 0.75 0.262203 ] [ 0.751447 0.5 0 ] [ 0.73631 0.979932 0.256849 ] [ 0.259216 0.984794 0.267146 ] [ 0.259216 0.015206 0.732854 ] [ 0.259216 0.484794 0.732854 ] [ 0.504904 0.25 0.505723 ] [ 0.491499 0.25 0.987112 ] [ 0.491499 0.75 0.012888 ] [ 0.73631 0.479932 0.743151 ] [ 0.73631 0.520068 0.256849 ] [ 0.73631 0.020068 0.743151 ] [ 0.995735 0.75 0.996321 ] [ 0.995735 0.25 0.003679 ] [ 0.259216 0.515206 0.267146 ] [ 0.504904 0.75 0.494277 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mo" "Mo" "Mo" "Mo" "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" 5.97398873 "source-unit" "angstrom" } "b" { "source-value" 6.17326614 "source-unit" "angstrom" } "c" { "source-value" 8.51440248 "source-unit" "angstrom" } }