{ "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" [ [ 0.758336 0.472078 0.158599 ] [ 0.758336 0.027922 0.158599 ] [ 0.241664 0.527922 0.841401 ] [ 0.241664 0.972078 0.841401 ] [ 0.222718 0.25 0.337446 ] [ 0.777282 0.75 0.662554 ] [ 0.266498 0.25 0.057594 ] [ 0.733502 0.75 0.942406 ] [ 0.275265 0.75 0.429695 ] [ 0.724735 0.25 0.570305 ] [ 0.709003 0.75 0.086206 ] [ 0.02776 0.25 0.130766 ] [ 0.478431 0.25 0.166645 ] [ 0.192935 0.935707 0.333755 ] [ 0.192935 0.564293 0.333755 ] [ 0.8509 0.25 0.419436 ] [ 0.57411 0.75 0.462699 ] [ 0.42589 0.25 0.537301 ] [ 0.1491 0.75 0.580564 ] [ 0.807065 0.435707 0.666245 ] [ 0.807065 0.064293 0.666245 ] [ 0.521569 0.75 0.833355 ] [ 0.97224 0.75 0.869234 ] [ 0.290997 0.25 0.913794 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "Sn" "B" "B" "P" "P" "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" 5.17801593 "source-unit" "angstrom" } "b" { "source-value" 6.50707399 "source-unit" "angstrom" } "c" { "source-value" 9.11691879 "source-unit" "angstrom" } "beta" { "source-value" 92.63474474 "source-unit" "degree" } }