{ "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" [ [ 0.688802 0.501543 0.795036 ] [ 0.688802 0.998457 0.795036 ] [ 0.311198 0.498457 0.204964 ] [ 0.311198 0.001543 0.204964 ] [ 0.062215 0.75 0.665736 ] [ 0.937785 0.25 0.334264 ] [ 0.292309 0.25 0.580283 ] [ 0.707691 0.75 0.419717 ] [ 0.268552 0.75 0.924218 ] [ 0.731448 0.25 0.075782 ] [ 0.761975 0.25 0.94655 ] [ 0.044862 0.75 0.820969 ] [ 0.476226 0.75 0.882608 ] [ 0.183149 0.997538 0.636049 ] [ 0.183149 0.502462 0.636049 ] [ 0.792014 0.75 0.590447 ] [ 0.575191 0.25 0.63308 ] [ 0.424809 0.75 0.36692 ] [ 0.207986 0.25 0.409553 ] [ 0.816851 0.497538 0.363951 ] [ 0.816851 0.002462 0.363951 ] [ 0.523774 0.25 0.117392 ] [ 0.955138 0.25 0.179031 ] [ 0.238025 0.75 0.05345 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "B" "B" "P" "P" "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" 5.40887044 "source-unit" "angstrom" } "b" { "source-value" 5.0594161 "source-unit" "angstrom" } "c" { "source-value" 9.42849548 "source-unit" "angstrom" } "beta" { "source-value" 101.91409499 "source-unit" "degree" } }