{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.941138 0.353023 0.172111 ] [ 0.441138 0.146977 0.172111 ] [ 0.679055 0.128488 0.49365 ] [ 0.820945 0.628488 0.50635 ] [ 0.179055 0.371512 0.49365 ] [ 0.320945 0.871512 0.50635 ] [ 0.558862 0.853023 0.827889 ] [ 0.058862 0.646977 0.827889 ] [ 0.88686 0.892183 0.159282 ] [ 0.38686 0.607817 0.159282 ] [ 0.61314 0.392183 0.840718 ] [ 0.11314 0.107817 0.840718 ] [ 0.674523 0.436614 0.064544 ] [ 0.174523 0.063386 0.064544 ] [ 0.514519 0.815821 0.097702 ] [ 0.014519 0.684179 0.097702 ] [ 0.767609 0.103814 0.224839 ] [ 0.267609 0.396186 0.224839 ] [ 0.959242 0.840446 0.375497 ] [ 0.877293 0.399529 0.395282 ] [ 0.459242 0.659554 0.375497 ] [ 0.377293 0.100471 0.395282 ] [ 0.622707 0.899529 0.604718 ] [ 0.540758 0.340446 0.624503 ] [ 0.122707 0.600471 0.604718 ] [ 0.040758 0.159554 0.624503 ] [ 0.732391 0.603814 0.775161 ] [ 0.232391 0.896186 0.775161 ] [ 0.985481 0.315821 0.902298 ] [ 0.485481 0.184179 0.902298 ] [ 0.825477 0.936614 0.935456 ] [ 0.325477 0.563386 0.935456 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.25108108 "source-unit" "angstrom" } "b" { "source-value" 7.34605311 "source-unit" "angstrom" } "c" { "source-value" 7.88421697 "source-unit" "angstrom" } "beta" { "source-value" 92.17154789 "source-unit" "degree" } }