{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.241778 0.107995 0.439652 ] [ 0.758222 0.607995 0.560348 ] [ 0.371597 0.362877 0.899642 ] [ 0.628403 0.862877 0.100358 ] [ 0.240943 0.802283 0.823614 ] [ 0.780925 0.118892 0.74514 ] [ 0.759057 0.302283 0.176386 ] [ 0.219075 0.618892 0.25486 ] [ 0.707333 0.329047 0.371151 ] [ 0.292667 0.829047 0.628849 ] [ 0.002265 0.150007 0.171473 ] [ 0.997735 0.650007 0.828527 ] [ 0.528524 0.08413 0.178531 ] [ 0.471476 0.58413 0.821469 ] [ 0.224613 0.475825 0.41208 ] [ 0.775387 0.975825 0.58792 ] [ 0.559008 0.941363 0.877762 ] [ 0.440992 0.441363 0.122238 ] [ 0.044615 0.00847 0.856697 ] [ 0.955385 0.50847 0.143303 ] [ 0.971544 0.290479 0.674509 ] [ 0.028456 0.790479 0.325491 ] [ 0.303266 0.778318 0.055845 ] [ 0.696734 0.278318 0.944155 ] [ 0.48132 0.241673 0.70516 ] [ 0.51868 0.741673 0.29484 ] ] } "species" { "source-value" [ "Ba" "Ba" "Te" "Te" "W" "W" "W" "W" "O" "O" "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" 5.6108453154 "source-unit" "angstrom" } "b" { "source-value" 7.60675343 "source-unit" "angstrom" } "c" { "source-value" 9.06798905281 "source-unit" "angstrom" } "beta" { "source-value" 90.0239141232 "source-unit" "degree" } }