{ "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" [ [ 0.006557 0.008139 0.998009 ] [ 0.503262 0.982574 0.998118 ] [ 0.164381 0.665741 0.327771 ] [ 0.834061 0.833849 0.164056 ] [ 0.833822 0.346999 0.665366 ] [ 0.667131 0.660026 0.332301 ] [ 0.523094 0.0014 0.499902 ] [ 0.488727 0.500703 0.497696 ] [ 0.338864 0.341161 0.67148 ] [ 0.160644 0.665151 0.83413 ] [ 0.162278 0.164951 0.828826 ] [ 0.832757 0.331789 0.168836 ] [ 0.049589 0.004201 0.50206 ] [ 0.499339 0.462182 0.001706 ] [ 0.702073 0.794251 0.248707 ] [ 0.248161 0.914451 0.420355 ] [ 0.36289 0.477336 0.582754 ] [ 0.054141 0.804306 0.249774 ] [ 0.154237 0.906257 0.805171 ] [ 0.945089 0.700981 0.387655 ] [ 0.946834 0.557188 0.750216 ] [ 0.021768 0.775011 0.921948 ] [ 0.023712 0.150773 0.918862 ] [ 0.731175 0.474315 0.57971 ] [ 0.646996 0.908427 0.413126 ] [ 0.515308 0.777269 0.534129 ] [ 0.599714 0.353522 0.699445 ] [ 0.726593 0.982634 0.965694 ] [ 0.796745 0.548564 0.108321 ] [ 0.588396 0.845103 0.084071 ] [ 0.584918 0.252067 0.078844 ] [ 0.69616 0.442855 0.249134 ] [ 0.416365 0.179202 0.920422 ] [ 0.300792 0.552279 0.75205 ] [ 0.404015 0.764544 0.915016 ] [ 0.19663 0.442005 0.889321 ] [ 0.400021 0.650595 0.300274 ] [ 0.483912 0.227173 0.466035 ] [ 0.275105 0.020739 0.032494 ] [ 0.274155 0.527388 0.416189 ] [ 0.330935 0.088681 0.579918 ] [ 0.0521 0.446242 0.248261 ] [ 0.969918 0.851057 0.082964 ] [ 0.970255 0.215452 0.083228 ] [ 0.840669 0.098177 0.199302 ] [ 0.062994 0.301151 0.609553 ] [ 0.952729 0.202163 0.7471 ] [ 0.735981 0.095 0.586513 ] [ 0.643582 0.529748 0.41943 ] [ 0.30916 0.192506 0.749219 ] ] } "species" { "source-value" [ "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.26508077 "source-unit" "angstrom" } "b" { "source-value" 7.26599362 "source-unit" "angstrom" } "c" { "source-value" 16.24580417 "source-unit" "angstrom" } "alpha" { "source-value" 102.77783886 "source-unit" "degree" } "beta" { "source-value" 102.72832777 "source-unit" "degree" } "gamma" { "source-value" 90.03478249 "source-unit" "degree" } }