{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.252155 0.003538 0.748328 ] [ 0.252155 0.496462 0.248328 ] [ 0.747845 0.503538 0.751672 ] [ 0.747845 0.996462 0.251672 ] [ 0.249816 0.501583 0.750199 ] [ 0.249816 0.998417 0.250199 ] [ 0.750184 0.001583 0.749801 ] [ 0.750184 0.498417 0.249801 ] [ 0.415915 0.767116 0.585593 ] [ 0.085723 0.266391 0.415907 ] [ 0.584085 0.267116 0.914407 ] [ 0.914277 0.766391 0.084093 ] [ 0.085723 0.233609 0.915907 ] [ 0.415915 0.732884 0.085593 ] [ 0.914277 0.733609 0.584093 ] [ 0.584085 0.232884 0.414407 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mo" "Mo" "Mo" "Mo" "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" 6.00176617 "source-unit" "angstrom" } "b" { "source-value" 5.2648268 "source-unit" "angstrom" } "c" { "source-value" 6.00283267 "source-unit" "angstrom" } "beta" { "source-value" 116.20716933 "source-unit" "degree" } }