{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.526134 0.25 0.218631 ] [ 0.473866 0.75 0.781369 ] [ 0.970552 0.25 0.71848 ] [ 0.029448 0.75 0.28152 ] [ 0.915126 0.75 0.591677 ] [ 0.590714 0.75 0.09408 ] [ 0.409286 0.25 0.90592 ] [ 0.084874 0.25 0.408323 ] [ 0.789637 0.75 0.454875 ] [ 0.784318 0.952758 0.662187 ] [ 0.784318 0.547242 0.662187 ] [ 0.762281 0.25 0.404863 ] [ 0.732102 0.25 0.902475 ] [ 0.726537 0.951546 0.163344 ] [ 0.726537 0.548454 0.163344 ] [ 0.71069 0.75 0.956337 ] [ 0.28931 0.25 0.043663 ] [ 0.273463 0.451546 0.836656 ] [ 0.273463 0.048454 0.836656 ] [ 0.267898 0.75 0.097525 ] [ 0.237719 0.75 0.595137 ] [ 0.215682 0.452758 0.337813 ] [ 0.215682 0.047242 0.337813 ] [ 0.210363 0.25 0.545125 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "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" 4.77050951 "source-unit" "angstrom" } "b" { "source-value" 6.1242555 "source-unit" "angstrom" } "c" { "source-value" 10.50313207 "source-unit" "angstrom" } "beta" { "source-value" 90.20407907 "source-unit" "degree" } }