{ "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" [ [ 0.764918 0.000297 0.221045 ] [ 0.764918 0.499703 0.221045 ] [ 0.235082 0.500297 0.778955 ] [ 0.235082 0.999703 0.778955 ] [ 0.217899 0.25 0.333965 ] [ 0.782101 0.75 0.666035 ] [ 0.270191 0.25 0.079315 ] [ 0.729809 0.75 0.920685 ] [ 0.286383 0.75 0.434206 ] [ 0.713617 0.25 0.565794 ] [ 0.695216 0.75 0.061149 ] [ 0.047011 0.25 0.148608 ] [ 0.456947 0.25 0.19269 ] [ 0.203425 0.953842 0.317456 ] [ 0.203425 0.546158 0.317456 ] [ 0.874108 0.25 0.410792 ] [ 0.603649 0.75 0.471403 ] [ 0.396351 0.25 0.528597 ] [ 0.125892 0.75 0.589208 ] [ 0.796575 0.453842 0.682544 ] [ 0.796575 0.046158 0.682544 ] [ 0.543053 0.75 0.80731 ] [ 0.952989 0.75 0.851392 ] [ 0.304784 0.25 0.938851 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "B" "B" "As" "As" "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" 5.40222126 "source-unit" "angstrom" } "b" { "source-value" 6.41568293 "source-unit" "angstrom" } "c" { "source-value" 9.21835171 "source-unit" "angstrom" } "beta" { "source-value" 92.88739921 "source-unit" "degree" } }