{ "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" [ [ 0.23171 0.75 0.10813 ] [ 0.761872 0.961838 0.291063 ] [ 0.761872 0.538162 0.291063 ] [ 0.238128 0.461838 0.708937 ] [ 0.238128 0.038162 0.708937 ] [ 0.76829 0.25 0.89187 ] [ 0.192451 0.25 0.319416 ] [ 0.807549 0.75 0.680584 ] [ 0.290222 0.75 0.420767 ] [ 0.709778 0.25 0.579233 ] [ 0.296692 0.25 0.028334 ] [ 0.703308 0.75 0.971666 ] [ 0.637774 0.75 0.116535 ] [ 0.051206 0.25 0.064773 ] [ 0.477924 0.25 0.148506 ] [ 0.183338 0.943948 0.30465 ] [ 0.183338 0.556052 0.30465 ] [ 0.615999 0.75 0.449653 ] [ 0.835576 0.25 0.404964 ] [ 0.164424 0.75 0.595036 ] [ 0.384001 0.25 0.550347 ] [ 0.816662 0.443948 0.69535 ] [ 0.816662 0.056052 0.69535 ] [ 0.522076 0.75 0.851494 ] [ 0.948794 0.75 0.935227 ] [ 0.362226 0.25 0.883465 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "Si" "Si" "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" 5.05581593 "source-unit" "angstrom" } "b" { "source-value" 6.48054384 "source-unit" "angstrom" } "c" { "source-value" 8.38732679 "source-unit" "angstrom" } "beta" { "source-value" 94.49823109 "source-unit" "degree" } }