{ "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" [ [ 0.75 0.753813 0.350312 ] [ 0.25 0.246187 0.649688 ] [ 0.75 0.253813 0.149688 ] [ 0.25 0.746187 0.850312 ] [ 0.25 0.078212 0.390618 ] [ 0.75 0.921788 0.609382 ] [ 0.25 0.578212 0.109382 ] [ 0.75 0.421788 0.890618 ] [ 0.75 0.426023 0.387772 ] [ 0.25 0.573977 0.612228 ] [ 0.75 0.926023 0.112228 ] [ 0.25 0.073977 0.887772 ] [ 0.25 0.075053 0.07617 ] [ 0.75 0.924947 0.92383 ] [ 0.25 0.575053 0.42383 ] [ 0.75 0.424947 0.57617 ] [ 0.25 0.982407 0.716409 ] [ 0.75 0.017593 0.283591 ] [ 0.25 0.482407 0.783591 ] [ 0.75 0.517593 0.216409 ] [ 0.25 0.377854 0.02052 ] [ 0.75 0.622146 0.97948 ] [ 0.25 0.877854 0.47948 ] [ 0.75 0.122146 0.52052 ] [ 0.75 0.209838 0.830105 ] [ 0.25 0.790162 0.169895 ] [ 0.75 0.709838 0.669895 ] [ 0.25 0.290162 0.330105 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "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" 3.37303017 "source-unit" "angstrom" } "b" { "source-value" 10.0719144 "source-unit" "angstrom" } "c" { "source-value" 11.85069724 "source-unit" "angstrom" } }