{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.002901 0.786311 ] [ 0.75 0.997099 0.213689 ] [ 0.25 0.502901 0.713689 ] [ 0.75 0.497099 0.286311 ] [ 0.25 0.819276 0.431954 ] [ 0.75 0.180724 0.568046 ] [ 0.25 0.319276 0.068046 ] [ 0.75 0.680724 0.931954 ] [ 0.25 0.289213 0.424677 ] [ 0.75 0.710787 0.575323 ] [ 0.25 0.789213 0.075323 ] [ 0.75 0.210787 0.924677 ] [ 0.981577 0.788502 0.637477 ] [ 0.481577 0.211498 0.362523 ] [ 0.518423 0.288502 0.862523 ] [ 0.018423 0.711498 0.137477 ] [ 0.018423 0.211498 0.362523 ] [ 0.518423 0.788502 0.637477 ] [ 0.481577 0.711498 0.137477 ] [ 0.981577 0.288502 0.862523 ] [ 0.25 0.738047 0.93063 ] [ 0.75 0.261953 0.06937 ] [ 0.25 0.238047 0.56937 ] [ 0.75 0.761953 0.43063 ] [ 0.75 0.006029 0.910487 ] [ 0.25 0.993971 0.089513 ] [ 0.75 0.506029 0.589513 ] [ 0.25 0.493971 0.410487 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Cr" "Cr" "Cr" "Cr" "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" 5.97377131 "source-unit" "angstrom" } "b" { "source-value" 8.0932342 "source-unit" "angstrom" } "c" { "source-value" 11.26436682 "source-unit" "angstrom" } }