{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.993097 0.995025 0.001309 ] [ 0.494044 0.499544 0.498862 ] [ 0.253867 0.253035 0.753661 ] [ 0.752559 0.757408 0.248068 ] [ 0.552277 0.065954 0.187307 ] [ 0.70665 0.184591 0.562148 ] [ 0.039285 0.565384 0.687492 ] [ 0.453011 0.930238 0.811578 ] [ 0.297213 0.821038 0.437621 ] [ 0.20133 0.681046 0.06295 ] [ 0.800826 0.319053 0.939069 ] [ 0.948876 0.431224 0.312297 ] [ 0.434836 0.148553 0.967692 ] [ 0.335924 0.027369 0.599968 ] [ 0.589178 0.281494 0.362292 ] [ 0.679813 0.404702 0.711525 ] [ 0.826104 0.528632 0.100095 ] [ 0.920777 0.643577 0.464158 ] [ 0.083718 0.772233 0.850857 ] [ 0.827081 0.109004 0.785708 ] [ 0.177678 0.895108 0.223852 ] [ 0.082066 0.359763 0.542073 ] [ 0.16319 0.466902 0.887924 ] [ 0.926783 0.220893 0.152641 ] [ 0.404931 0.713599 0.634951 ] [ 0.317742 0.606172 0.287259 ] [ 0.574033 0.853083 0.032516 ] [ 0.663112 0.965375 0.394123 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "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" 5.23225873 "source-unit" "angstrom" } "b" { "source-value" 7.77109479 "source-unit" "angstrom" } "c" { "source-value" 7.86378327 "source-unit" "angstrom" } "alpha" { "source-value" 95.62703751 "source-unit" "degree" } "beta" { "source-value" 94.74450455 "source-unit" "degree" } "gamma" { "source-value" 108.7200895 "source-unit" "degree" } }