{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.786931 0.003925 0.23851 ] [ 0.213069 0.996075 0.76149 ] [ 0.213069 0.503925 0.76149 ] [ 0.786931 0.496075 0.23851 ] [ 0.782497 0.75 0.652934 ] [ 0.217503 0.25 0.347066 ] [ 0.715671 0.25 0.57718 ] [ 0.284329 0.75 0.42282 ] [ 0.717279 0.75 0.944421 ] [ 0.282721 0.25 0.055579 ] [ 0.508738 0.75 0.847483 ] [ 0.945278 0.75 0.87478 ] [ 0.491262 0.25 0.152517 ] [ 0.184908 0.941364 0.323527 ] [ 0.184908 0.558636 0.323527 ] [ 0.174301 0.75 0.590994 ] [ 0.825699 0.25 0.409006 ] [ 0.815092 0.441364 0.676473 ] [ 0.815092 0.058636 0.676473 ] [ 0.402473 0.25 0.557135 ] [ 0.712285 0.75 0.094331 ] [ 0.287715 0.25 0.905669 ] [ 0.597527 0.75 0.442865 ] [ 0.054722 0.25 0.12522 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "P" "P" "C" "C" "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" 5.01287641986 "source-unit" "angstrom" } "b" { "source-value" 6.34304967 "source-unit" "angstrom" } "c" { "source-value" 8.43289189976 "source-unit" "angstrom" } "beta" { "source-value" 93.0236567621 "source-unit" "degree" } }