{ "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" [ [ 0.555396 0.347 0.028006 ] [ 0.443921 0.811795 0.058024 ] [ 0.383705 0.90924 0.157099 ] [ 0.227852 0.345044 0.193762 ] [ 0.204342 0.477623 0.30424 ] [ 0.078025 0.180776 0.092799 ] [ 0.834524 0.90108 0.406936 ] [ 0.928666 0.880204 0.31879 ] [ 0.823514 0.75307 0.2299 ] [ 0.559967 0.2728 0.447503 ] [ 0.529582 0.218224 0.361449 ] [ 0.743976 0.411853 0.541448 ] [ 0.257458 0.607483 0.473695 ] [ 0.387067 0.889196 0.649665 ] [ 0.073236 0.16657 0.600884 ] [ 0.202801 0.484014 0.798969 ] [ 0.905567 0.882202 0.818956 ] [ 0.957529 0.714068 0.715391 ] [ 0.920822 0.977241 0.909007 ] [ 0.725623 0.448979 0.949941 ] [ 0.56393 0.233514 0.859901 ] [ 0.340444 0.742791 0.964172 ] [ 0.92955 0.048515 0.006199 ] [ 0.666694 0.581797 0.131404 ] [ 0.430006 0.082609 0.258852 ] [ 0.174487 0.55006 0.384249 ] [ 0.892076 0.934136 0.497939 ] [ 0.715233 0.587807 0.629288 ] [ 0.479688 0.785171 0.563977 ] [ 0.498157 0.118471 0.760491 ] [ 0.360831 0.359783 0.694989 ] [ 0.223534 0.574868 0.879305 ] [ 0.805611 0.163808 0.049142 ] [ 0.168439 0.363505 0.99621 ] [ 0.170493 0.00509 0.042206 ] [ 0.634098 0.731793 0.012396 ] [ 0.510211 0.491114 0.08625 ] [ 0.589112 0.676818 0.17767 ] [ 0.716274 0.902781 0.121812 ] [ 0.980849 0.57459 0.137175 ] [ 0.392745 0.271351 0.143467 ] [ 0.254078 0.991392 0.21112 ] [ 0.478493 0.405103 0.246119 ] [ 0.377964 0.17951 0.302239 ] [ 0.738875 0.060211 0.260694 ] [ 0.105035 0.221282 0.355614 ] [ 0.156659 0.771316 0.268604 ] [ 0.925228 0.560658 0.347661 ] [ 0.218317 0.835944 0.4105 ] [ 0.454334 0.751397 0.351697 ] [ 0.440196 0.50938 0.411317 ] [ 0.875852 0.629414 0.481794 ] [ 0.887683 0.326832 0.409425 ] [ 0.669712 0.966569 0.465902 ] [ 0.905166 0.108476 0.539166 ] [ 0.19755 0.154412 0.481404 ] [ 0.516368 0.07993 0.581011 ] [ 0.167347 0.677335 0.542169 ] [ 0.890854 0.415118 0.6275 ] [ 0.570601 0.677847 0.521646 ] [ 0.380704 0.59766 0.604809 ] [ 0.58296 0.66792 0.680146 ] [ 0.791539 0.72398 0.584716 ] [ 0.970126 0.87376 0.648989 ] [ 0.07845 0.390375 0.70174 ] [ 0.415895 0.281861 0.647946 ] [ 0.352818 0.04611 0.708656 ] [ 0.449907 0.261664 0.798919 ] [ 0.568278 0.442455 0.738952 ] [ 0.793973 0.10045 0.771936 ] [ 0.152661 0.236458 0.855688 ] [ 0.2213 0.821578 0.76758 ] [ 0.97483 0.570991 0.84166 ] [ 0.253873 0.863304 0.902529 ] [ 0.506195 0.759274 0.847848 ] [ 0.477857 0.56033 0.913166 ] [ 0.995861 0.874189 0.967982 ] [ 0.662013 0.120855 0.981039 ] [ 0.923255 0.365526 0.905635 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "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" "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" 6.00792711 "source-unit" "angstrom" } "b" { "source-value" 6.30185178 "source-unit" "angstrom" } "c" { "source-value" 39.91098253 "source-unit" "angstrom" } "alpha" { "source-value" 91.58496765 "source-unit" "degree" } "beta" { "source-value" 93.11171101 "source-unit" "degree" } "gamma" { "source-value" 116.0561366 "source-unit" "degree" } }