{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.708057 0.5 0.008902 ] [ 0.659742 0.5 0.642163 ] [ 0.633457 0.5 0.348997 ] [ 0.206636 0.5 0.508467 ] [ 0.158136 0.5 0.142102 ] [ 0.13186 0.5 0.849336 ] [ 0.864587 0 0.494209 ] [ 0.366643 0 0.993888 ] [ 0.32641 0 0.685391 ] [ 0.30889 0 0.32023 ] [ 0.824402 0 0.183864 ] [ 0.812053 0 0.820356 ] [ 0.998308 0.5 0.332295 ] [ 0.998827 0 0.00086 ] [ 0.998958 0.5 0.667811 ] [ 0.502602 0.5 0.832986 ] [ 0.499909 0 0.499987 ] [ 0.502255 0.5 0.166533 ] [ 0.987888 0.5 0.571071 ] [ 0.981807 0.5 0.235708 ] [ 0.861259 0.5 0.389148 ] [ 0.859541 0.5 0.722328 ] [ 0.845949 0 0.042288 ] [ 0.65569 0.5 0.873345 ] [ 0.653585 0.5 0.209202 ] [ 0.635733 0 0.557846 ] [ 0.518586 0 0.403236 ] [ 0.490554 0.5 0.069695 ] [ 0.486243 0.5 0.736109 ] [ 0.363546 0.5 0.888692 ] [ 0.362222 0.5 0.220208 ] [ 0.345 0 0.539044 ] [ 0.151627 0.5 0.373445 ] [ 0.15026 0.5 0.710411 ] [ 0.136621 0 0.056335 ] [ 0.01216 0 0.903511 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "O" "O" "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" 8.25393165 "source-unit" "angstrom" } "b" { "source-value" 3.17052319 "source-unit" "angstrom" } "c" { "source-value" 14.31657371 "source-unit" "angstrom" } "beta" { "source-value" 90.06326515 "source-unit" "degree" } }