{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.980644 0.874334 0.124923 ] [ 0.569561 0.566952 0.695571 ] [ 0.430439 0.066952 0.304429 ] [ 0.019356 0.374334 0.875077 ] [ 0.175894 0.023202 0.590708 ] [ 0.375755 0.476083 0.062586 ] [ 0.624245 0.976083 0.937414 ] [ 0.824106 0.523202 0.409292 ] [ 0.208726 0.563396 0.381317 ] [ 0.265313 0.924843 0.938877 ] [ 0.734687 0.424843 0.061123 ] [ 0.791274 0.063396 0.618683 ] [ 0.030151 0.632698 0.303114 ] [ 0.194193 0.397263 0.52243 ] [ 0.225061 0.212449 0.948406 ] [ 0.128856 0.74818 0.982963 ] [ 0.302033 0.823003 0.430394 ] [ 0.308255 0.410507 0.273313 ] [ 0.317268 0.85231 0.782465 ] [ 0.427695 0.882392 0.064604 ] [ 0.572305 0.382392 0.935396 ] [ 0.682732 0.35231 0.217535 ] [ 0.691745 0.910507 0.726687 ] [ 0.697967 0.323003 0.569606 ] [ 0.871144 0.24818 0.017037 ] [ 0.774939 0.712449 0.051594 ] [ 0.805807 0.897263 0.47757 ] [ 0.969849 0.132698 0.696886 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 8.0881022 "source-unit" "angstrom" } "b" { "source-value" 5.194262 "source-unit" "angstrom" } "c" { "source-value" 8.875638 "source-unit" "angstrom" } "beta" { "source-value" 97.74117734 "source-unit" "degree" } }