{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.001723 0.360579 0.751522 ] [ 0.001723 0.639421 0.251522 ] [ 0.998485 0.21578 0.255084 ] [ 0.998485 0.78422 0.755084 ] [ 0.496564 0.859336 0.774301 ] [ 0.509237 0.286515 0.751511 ] [ 0.509237 0.713485 0.251511 ] [ 0.496564 0.140664 0.274301 ] [ 0.005702 0.073414 0.713679 ] [ 0.005702 0.926586 0.213679 ] [ 0.501366 0.551918 0.752035 ] [ 0.501366 0.448082 0.252035 ] [ 0.190449 0.052054 0.408232 ] [ 0.190449 0.947946 0.908232 ] [ 0.29059 0.552461 0.425264 ] [ 0.29059 0.447539 0.925264 ] [ 0.709851 0.446063 0.580858 ] [ 0.709851 0.553937 0.080858 ] [ 0.780653 0.18103 0.599472 ] [ 0.780653 0.81897 0.099472 ] [ 0.224681 0.193184 0.91032 ] [ 0.224681 0.806816 0.41032 ] [ 0.289175 0.306295 0.40982 ] [ 0.289175 0.693705 0.90982 ] [ 0.718006 0.30921 0.093497 ] [ 0.718006 0.69079 0.593497 ] [ 0.783519 0.065349 0.074406 ] [ 0.783519 0.934651 0.574406 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.04606285 "source-unit" "angstrom" } "b" { "source-value" 11.23899673 "source-unit" "angstrom" } "c" { "source-value" 5.16359574 "source-unit" "angstrom" } "beta" { "source-value" 91.23481051 "source-unit" "degree" } }