{ "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" [ [ 0.509065 0.043618 0.750344 ] [ 0.497889 0.056716 0.192124 ] [ 0.993601 0.594878 0.185944 ] [ 0.000025 0.587228 0.735968 ] [ 0.999103 0.009905 0.998822 ] [ 0.501552 0.503842 0.494278 ] [ 0.001068 0.004433 0.499687 ] [ 0.499036 0.499507 0.998435 ] [ 0.321267 0.189314 0.950067 ] [ 0.674923 0.149369 0.434999 ] [ 0.167567 0.309164 0.583043 ] [ 0.787924 0.306833 0.072044 ] [ 0.640465 0.466893 0.757347 ] [ 0.351926 0.485098 0.238072 ] [ 0.195859 0.681059 0.947417 ] [ 0.854757 0.676773 0.434877 ] [ 0.303817 0.827744 0.5861 ] [ 0.695187 0.789821 0.06715 ] [ 0.876305 0.969041 0.739773 ] [ 0.128664 0.991162 0.262309 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Bi" "Te" "Te" "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" 5.22317848 "source-unit" "angstrom" } "b" { "source-value" 5.48819165 "source-unit" "angstrom" } "c" { "source-value" 7.58922919 "source-unit" "angstrom" } "alpha" { "source-value" 94.06721745 "source-unit" "degree" } "beta" { "source-value" 90.09768564 "source-unit" "degree" } "gamma" { "source-value" 90.13367374 "source-unit" "degree" } }