{ "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" [ [ 0.25528 0.75 0.101063 ] [ 0.768247 0.00042 0.23684 ] [ 0.768247 0.49958 0.23684 ] [ 0.231753 0.50042 0.76316 ] [ 0.231753 0.99958 0.76316 ] [ 0.74472 0.25 0.898937 ] [ 0.203429 0.25 0.327644 ] [ 0.796571 0.75 0.672356 ] [ 0.280624 0.75 0.424915 ] [ 0.719376 0.25 0.575085 ] [ 0.26378 0.25 0.038426 ] [ 0.73622 0.75 0.961574 ] [ 0.657822 0.75 0.111895 ] [ 0.007063 0.25 0.089803 ] [ 0.456978 0.25 0.171108 ] [ 0.185354 0.94522 0.310347 ] [ 0.185354 0.55478 0.310347 ] [ 0.601777 0.75 0.46922 ] [ 0.857016 0.25 0.401557 ] [ 0.142984 0.75 0.598443 ] [ 0.398223 0.25 0.53078 ] [ 0.814646 0.44522 0.689653 ] [ 0.814646 0.05478 0.689653 ] [ 0.543022 0.75 0.828892 ] [ 0.992937 0.75 0.910197 ] [ 0.342178 0.25 0.888105 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "Si" "Si" "B" "B" "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" 5.05099706 "source-unit" "angstrom" } "b" { "source-value" 6.44619677 "source-unit" "angstrom" } "c" { "source-value" 8.38068723 "source-unit" "angstrom" } "beta" { "source-value" 93.56283541 "source-unit" "degree" } }