{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.249637 0.750396 0.502534 ] [ 0.746612 0.250711 0.499475 ] [ 0.020652 0.021863 0.040632 ] [ 0.483213 0.484356 0.965762 ] [ 0.753115 0.256846 0.009081 ] [ 0.253362 0.25821 0.504137 ] [ 0.755553 0.749125 0.999392 ] [ 0.261861 0.760018 0.010899 ] [ 0.251535 0.251737 0.002457 ] ] } "species" { "source-value" [ "Ba" "Ba" "In" "In" "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" 6.06562378 "source-unit" "angstrom" } "b" { "source-value" 6.06592786 "source-unit" "angstrom" } "c" { "source-value" 6.10508323 "source-unit" "angstrom" } "alpha" { "source-value" 119.77300853 "source-unit" "degree" } "beta" { "source-value" 119.77266923 "source-unit" "degree" } "gamma" { "source-value" 89.99622332 "source-unit" "degree" } }