{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.76758 0.496686 0.180461 ] [ 0.23242 0.996686 0.819539 ] [ 0.211189 0.246079 0.333169 ] [ 0.788811 0.746079 0.666831 ] [ 0.274428 0.750385 0.425919 ] [ 0.725572 0.250385 0.574081 ] [ 0.277423 0.256293 0.06235 ] [ 0.722577 0.756293 0.93765 ] [ 0.68444 0.725989 0.067127 ] [ 0.047303 0.258309 0.1171 ] [ 0.46776 0.282627 0.166896 ] [ 0.198304 0.943798 0.312533 ] [ 0.160821 0.553224 0.325212 ] [ 0.844511 0.258884 0.404514 ] [ 0.601817 0.729878 0.462941 ] [ 0.398183 0.229878 0.537059 ] [ 0.155489 0.758884 0.595486 ] [ 0.839179 0.053224 0.674788 ] [ 0.801696 0.443798 0.687467 ] [ 0.53224 0.782627 0.833104 ] [ 0.952697 0.758309 0.8829 ] [ 0.31556 0.225989 0.932873 ] ] } "species" { "source-value" [ "Li" "Li" "Sn" "Sn" "As" "As" "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" 5.25579858 "source-unit" "angstrom" } "b" { "source-value" 6.74529718 "source-unit" "angstrom" } "c" { "source-value" 9.20655547 "source-unit" "angstrom" } "beta" { "source-value" 93.7106367 "source-unit" "degree" } }