{ "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" [ [ 0.664678 0.671075 0.095319 ] [ 0.001897 0.995233 0.014345 ] [ 0.004889 0.997534 0.504394 ] [ 0.333037 0.32932 0.602816 ] [ 0.340858 0.816099 0.780625 ] [ 0.834967 0.819348 0.780479 ] [ 0.184461 0.644478 0.268958 ] [ 0.830052 0.336652 0.788594 ] [ 0.17426 0.172309 0.283037 ] [ 0.660563 0.164611 0.283945 ] [ 0.674157 0.659463 0.489829 ] [ 0.345024 0.30649 0.004129 ] [ 0.337094 0.837005 0.393986 ] [ 0.511133 0.975418 0.681959 ] [ 0.659865 0.677178 0.890564 ] [ 0.995213 0.007188 0.689355 ] [ 0.018578 0.982249 0.197925 ] [ 0.839998 0.82854 0.400104 ] [ 0.495571 0.518724 0.686131 ] [ 0.977634 0.521714 0.682614 ] [ 0.138126 0.716896 0.890217 ] [ 0.848904 0.32588 0.402425 ] [ 0.024071 0.493176 0.170622 ] [ 0.477375 0.501595 0.167629 ] [ 0.312462 0.35764 0.390702 ] [ 0.162242 0.153707 0.904494 ] [ 0.469823 0.039399 0.141411 ] [ 0.682769 0.151079 0.905551 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Fe" "Fe" "Fe" "Te" "Te" "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" 5.9595861 "source-unit" "angstrom" } "b" { "source-value" 6.06283601 "source-unit" "angstrom" } "c" { "source-value" 10.28278885 "source-unit" "angstrom" } "alpha" { "source-value" 89.91868352 "source-unit" "degree" } "beta" { "source-value" 89.91273235 "source-unit" "degree" } "gamma" { "source-value" 61.04212147 "source-unit" "degree" } }