{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.994816 0.75 0.265289 ] [ 0.494816 0.25 0.234711 ] [ 0.005184 0.25 0.734711 ] [ 0.505184 0.75 0.765289 ] [ 0.589 0.75 0.08761 ] [ 0.089 0.25 0.41239 ] [ 0.411 0.25 0.91239 ] [ 0.911 0.75 0.58761 ] [ 0.21979 0.75 0.089349 ] [ 0.71979 0.25 0.410651 ] [ 0.78021 0.25 0.910651 ] [ 0.28021 0.75 0.589349 ] [ 0.749635 0.75 0.426472 ] [ 0.249635 0.25 0.073528 ] [ 0.250365 0.25 0.573528 ] [ 0.750365 0.75 0.926472 ] [ 0.750335 0.991445 0.166376 ] [ 0.250335 0.008555 0.333624 ] [ 0.249665 0.491445 0.833624 ] [ 0.749665 0.508555 0.666376 ] [ 0.249665 0.008555 0.833624 ] [ 0.749665 0.991445 0.666376 ] [ 0.750335 0.508555 0.166376 ] [ 0.250335 0.491445 0.333624 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Zn" "Zn" "Zn" "Zn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.5290739 "source-unit" "angstrom" } "b" { "source-value" 7.98033736 "source-unit" "angstrom" } "c" { "source-value" 13.8149624 "source-unit" "angstrom" } }