{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.008362 0.744778 0.509008 ] [ 0.013499 0.417612 0.503113 ] [ 0.013499 0.582388 0.003113 ] [ 0.008362 0.255222 0.009008 ] [ 0.508362 0.244778 0.509008 ] [ 0.513499 0.917612 0.503113 ] [ 0.513499 0.082388 0.003113 ] [ 0.508362 0.755222 0.009008 ] [ 0.004159 0.086005 0.503678 ] [ 0.004159 0.913995 0.003678 ] [ 0.504159 0.586005 0.503678 ] [ 0.504159 0.413995 0.003678 ] [ 0.787852 0.926521 0.25146 ] [ 0.787852 0.073479 0.75146 ] [ 0.761177 0.248641 0.264716 ] [ 0.22615 0.069736 0.270227 ] [ 0.761177 0.751359 0.764716 ] [ 0.22615 0.930264 0.770227 ] [ 0.287852 0.426521 0.25146 ] [ 0.287852 0.573479 0.75146 ] [ 0.261177 0.748641 0.264716 ] [ 0.72615 0.569736 0.270227 ] [ 0.261177 0.251359 0.764716 ] [ 0.72615 0.430264 0.770227 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 5.24406809 "source-unit" "angstrom" } "b" { "source-value" 8.52637906 "source-unit" "angstrom" } "c" { "source-value" 5.07768529 "source-unit" "angstrom" } "beta" { "source-value" 113.50565557 "source-unit" "degree" } }