{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.505446 0.973831 0.362224 ] [ 0.505446 0.026169 0.637776 ] [ 0.494554 0.473831 0.137776 ] [ 0.494554 0.526169 0.862224 ] [ 0.985496 0.986081 0.123505 ] [ 0.985496 0.013919 0.876495 ] [ 0.014504 0.486081 0.376495 ] [ 0.014504 0.513919 0.623505 ] [ 0.971744 0.7713 0.997561 ] [ 0.028256 0.7287 0.497561 ] [ 0.999851 0.773285 0.748425 ] [ 0.999851 0.226715 0.251575 ] [ 0.971744 0.2287 0.002439 ] [ 0.028256 0.2713 0.502439 ] [ 0.000149 0.273285 0.751575 ] [ 0.000149 0.726715 0.248425 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "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" 3.76948976 "source-unit" "angstrom" } "b" { "source-value" 5.75462252 "source-unit" "angstrom" } "c" { "source-value" 11.75018863 "source-unit" "angstrom" } }