{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.354329 0.009432 0.891183 ] [ 0.354329 0.490568 0.391183 ] [ 0.645671 0.509432 0.608817 ] [ 0.645671 0.990568 0.108817 ] [ 0.150194 0.251937 0.61279 ] [ 0.150194 0.248063 0.11279 ] [ 0.849806 0.751937 0.88721 ] [ 0.849806 0.748063 0.38721 ] [ 0.898569 0.256264 0.651031 ] [ 0.898569 0.243736 0.151031 ] [ 0.096434 0.756408 0.57106 ] [ 0.096434 0.743592 0.07106 ] [ 0.346405 0.251072 0.759091 ] [ 0.364808 0.291324 0.538242 ] [ 0.346405 0.248928 0.259091 ] [ 0.635192 0.791324 0.961758 ] [ 0.364808 0.208676 0.038242 ] [ 0.653595 0.751072 0.740909 ] [ 0.635192 0.708676 0.461758 ] [ 0.653595 0.748928 0.240909 ] [ 0.903566 0.256408 0.92894 ] [ 0.903566 0.243592 0.42894 ] [ 0.101431 0.756264 0.848969 ] [ 0.101431 0.743736 0.348969 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "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" 6.56917135 "source-unit" "angstrom" } "b" { "source-value" 3.96847267 "source-unit" "angstrom" } "c" { "source-value" 12.39890284 "source-unit" "angstrom" } "beta" { "source-value" 109.20552815 "source-unit" "degree" } }