{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_1" } "basis-atom-coordinates" { "source-value" [ [ 0.0243 0.16651 0.320337 ] [ 0.082878 0.328806 0.846474 ] [ 0.219025 0.443436 0.615756 ] [ 0.16651 0.9757 0.070337 ] [ 0.328806 0.917122 0.596474 ] [ 0.443436 0.780975 0.365756 ] [ 0.556564 0.219025 0.865756 ] [ 0.671194 0.082878 0.096474 ] [ 0.83349 0.0243 0.570337 ] [ 0.780975 0.556564 0.115756 ] [ 0.917122 0.671194 0.346474 ] [ 0.9757 0.83349 0.820337 ] [ 0.283283 0.487411 0.141894 ] [ 0.487411 0.716717 0.891894 ] [ 0.512589 0.283283 0.391894 ] [ 0.716717 0.512589 0.641894 ] [ 0.970642 0.24886 0.144984 ] [ 0.013024 0.76774 0.174496 ] [ 0.152147 0.579532 0.965579 ] [ 0.23226 0.013024 0.424496 ] [ 0.205061 0.49104 0.330551 ] [ 0.24886 0.029358 0.894984 ] [ 0.420468 0.152147 0.215579 ] [ 0.368996 0.442186 0.771369 ] [ 0.557814 0.368996 0.021369 ] [ 0.49104 0.794939 0.080551 ] [ 0.50896 0.205061 0.580551 ] [ 0.442186 0.631004 0.521369 ] [ 0.631004 0.557814 0.271369 ] [ 0.579532 0.847853 0.715579 ] [ 0.75114 0.970642 0.394984 ] [ 0.794939 0.50896 0.830551 ] [ 0.76774 0.986976 0.924496 ] [ 0.847853 0.420468 0.465579 ] [ 0.986976 0.23226 0.674496 ] [ 0.029358 0.75114 0.644984 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 5.78844292 "source-unit" "angstrom" } "c" { "source-value" 11.24769081 "source-unit" "angstrom" } }