{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.533771 0.25 0.218115 ] [ 0.466229 0.75 0.781885 ] [ 0.025819 0.75 0.274705 ] [ 0.974181 0.25 0.725295 ] [ 0.578378 0.75 0.074178 ] [ 0.123727 0.25 0.402416 ] [ 0.876273 0.75 0.597584 ] [ 0.421622 0.25 0.925822 ] [ 0.283636 0.25 0.053378 ] [ 0.26004 0.75 0.066752 ] [ 0.694931 0.943244 0.1455 ] [ 0.694931 0.556756 0.1455 ] [ 0.264277 0.438004 0.338508 ] [ 0.264277 0.061996 0.338508 ] [ 0.806379 0.25 0.391166 ] [ 0.763383 0.75 0.46422 ] [ 0.236617 0.25 0.53578 ] [ 0.193621 0.75 0.608834 ] [ 0.735723 0.938004 0.661492 ] [ 0.735723 0.561996 0.661492 ] [ 0.305069 0.443244 0.8545 ] [ 0.305069 0.056756 0.8545 ] [ 0.73996 0.25 0.933248 ] [ 0.716364 0.75 0.946622 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Sn" "Sn" "P" "P" "P" "P" "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" 4.84502657 "source-unit" "angstrom" } "b" { "source-value" 6.5125449 "source-unit" "angstrom" } "c" { "source-value" 10.9920033 "source-unit" "angstrom" } "beta" { "source-value" 90.77706287 "source-unit" "degree" } }