{ "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" [ [ 0.782253 0.488524 0.226058 ] [ 0.782253 0.011476 0.226058 ] [ 0.217747 0.511476 0.773942 ] [ 0.217747 0.988524 0.773942 ] [ 0.204037 0.25 0.34965 ] [ 0.795963 0.75 0.65035 ] [ 0.290966 0.75 0.432337 ] [ 0.709034 0.25 0.567663 ] [ 0.273969 0.25 0.053247 ] [ 0.726031 0.75 0.946753 ] [ 0.71579 0.75 0.094454 ] [ 0.048587 0.25 0.118687 ] [ 0.476123 0.25 0.149985 ] [ 0.190608 0.950437 0.324892 ] [ 0.190608 0.549563 0.324892 ] [ 0.826784 0.25 0.393484 ] [ 0.613467 0.75 0.454429 ] [ 0.386533 0.25 0.545571 ] [ 0.173216 0.75 0.606516 ] [ 0.809392 0.450437 0.675108 ] [ 0.809392 0.049563 0.675108 ] [ 0.523877 0.75 0.850015 ] [ 0.951413 0.75 0.881313 ] [ 0.28421 0.25 0.905546 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Si" "Si" "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" 5.14280388 "source-unit" "angstrom" } "b" { "source-value" 6.31706389 "source-unit" "angstrom" } "c" { "source-value" 8.58907099 "source-unit" "angstrom" } "beta" { "source-value" 92.76516848 "source-unit" "degree" } }