{ "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" [ [ 0.783572 0.494757 0.214896 ] [ 0.783572 0.005243 0.214896 ] [ 0.216428 0.505243 0.785104 ] [ 0.216428 0.994757 0.785104 ] [ 0.204275 0.25 0.336098 ] [ 0.795725 0.75 0.663902 ] [ 0.285081 0.75 0.418801 ] [ 0.714919 0.25 0.581199 ] [ 0.271395 0.25 0.055637 ] [ 0.728605 0.75 0.944363 ] [ 0.698021 0.75 0.088242 ] [ 0.037649 0.25 0.114466 ] [ 0.468723 0.25 0.162543 ] [ 0.170538 0.951688 0.310742 ] [ 0.170538 0.548312 0.310742 ] [ 0.829712 0.25 0.397359 ] [ 0.624444 0.75 0.445548 ] [ 0.375556 0.25 0.554452 ] [ 0.170288 0.75 0.602641 ] [ 0.829462 0.451688 0.689258 ] [ 0.829462 0.048312 0.689258 ] [ 0.531277 0.75 0.837457 ] [ 0.962351 0.75 0.885534 ] [ 0.301979 0.25 0.911758 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "As" "As" "C" "C" "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" 5.08310716 "source-unit" "angstrom" } "b" { "source-value" 6.5769544 "source-unit" "angstrom" } "c" { "source-value" 8.62326937 "source-unit" "angstrom" } "beta" { "source-value" 93.51913044 "source-unit" "degree" } }