{ "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" [ [ 0.262192 0.75 0.084927 ] [ 0.763324 0.01383 0.221404 ] [ 0.763324 0.48617 0.221404 ] [ 0.236676 0.51383 0.778596 ] [ 0.236676 0.98617 0.778596 ] [ 0.737808 0.25 0.915073 ] [ 0.219417 0.25 0.319019 ] [ 0.780583 0.75 0.680981 ] [ 0.276909 0.25 0.035881 ] [ 0.723091 0.75 0.964119 ] [ 0.277485 0.75 0.421187 ] [ 0.722515 0.25 0.578813 ] [ 0.660865 0.75 0.115598 ] [ 0.022126 0.25 0.089948 ] [ 0.479508 0.25 0.157572 ] [ 0.182208 0.946549 0.298568 ] [ 0.182208 0.553451 0.298568 ] [ 0.613413 0.75 0.461785 ] [ 0.85132 0.25 0.399102 ] [ 0.14868 0.75 0.600898 ] [ 0.386587 0.25 0.538215 ] [ 0.817792 0.446549 0.701432 ] [ 0.817792 0.053451 0.701432 ] [ 0.520492 0.75 0.842428 ] [ 0.977874 0.75 0.910052 ] [ 0.339135 0.25 0.884402 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "B" "B" "As" "As" "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" 5.09451204 "source-unit" "angstrom" } "b" { "source-value" 6.59841847 "source-unit" "angstrom" } "c" { "source-value" 8.57681369 "source-unit" "angstrom" } "beta" { "source-value" 93.81828576 "source-unit" "degree" } }