{ "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" [ [ 0.236647 0.753273 0.083207 ] [ 0.751942 0.502169 0.262963 ] [ 0.249532 0.49802 0.736984 ] [ 0.250066 0.002439 0.737232 ] [ 0.763474 0.248337 0.918779 ] [ 0.753656 0.995178 0.271464 ] [ 0.217575 0.24771 0.351919 ] [ 0.781791 0.749895 0.645539 ] [ 0.297206 0.752779 0.411397 ] [ 0.700589 0.245821 0.584021 ] [ 0.273892 0.247591 0.059212 ] [ 0.72881 0.755189 0.944928 ] [ 0.715898 0.764725 0.089459 ] [ 0.049285 0.248955 0.122053 ] [ 0.481602 0.242589 0.143131 ] [ 0.20358 0.935394 0.316349 ] [ 0.221937 0.560701 0.317172 ] [ 0.825502 0.235728 0.42851 ] [ 0.597208 0.763428 0.430036 ] [ 0.401725 0.249032 0.564004 ] [ 0.170889 0.750174 0.565584 ] [ 0.786318 0.436623 0.676581 ] [ 0.780047 0.062508 0.682482 ] [ 0.520447 0.749838 0.861683 ] [ 0.951582 0.750424 0.87999 ] [ 0.288801 0.251483 0.915321 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.19137873 "source-unit" "angstrom" } "b" { "source-value" 6.63074573 "source-unit" "angstrom" } "c" { "source-value" 8.96068762 "source-unit" "angstrom" } "alpha" { "source-value" 90.70443485 "source-unit" "degree" } "beta" { "source-value" 91.08554614 "source-unit" "degree" } "gamma" { "source-value" 90.19921978 "source-unit" "degree" } }