{ "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" [ [ 0.094826 0.250156 0.251006 ] [ 0.253022 0.417497 0.969313 ] [ 0.251207 0.581977 0.472544 ] [ 0.252582 0.918303 0.47281 ] [ 0.239839 0.257557 0.802262 ] [ 0.758093 0.753953 0.192549 ] [ 0.750755 0.918459 0.028562 ] [ 0.743886 0.252176 0.703377 ] [ 0.906052 0.750674 0.749005 ] [ 0.408651 0.747379 0.750468 ] [ 0.594297 0.247476 0.248384 ] [ 0.24452 0.75104 0.299529 ] [ 0.22977 0.749806 0.944067 ] [ 0.223451 0.029675 0.656751 ] [ 0.221695 0.470779 0.655031 ] [ 0.237817 0.071432 0.973661 ] [ 0.28929 0.526632 0.15444 ] [ 0.288588 0.972623 0.157158 ] [ 0.285986 0.250293 0.443681 ] [ 0.713905 0.75037 0.557467 ] [ 0.713547 0.471563 0.84209 ] [ 0.715864 0.024954 0.845276 ] [ 0.759324 0.068818 0.528908 ] [ 0.757463 0.431234 0.528447 ] [ 0.765816 0.570475 0.023023 ] [ 0.772555 0.5292 0.342759 ] [ 0.776131 0.970828 0.344139 ] [ 0.76936 0.248893 0.056142 ] [ 0.058993 0.236705 0.996697 ] [ 0.056825 0.615854 0.365476 ] [ 0.057261 0.881895 0.368378 ] [ 0.109026 0.630636 0.212552 ] [ 0.091912 0.874387 0.216313 ] [ 0.086105 0.119182 0.465359 ] [ 0.083961 0.381133 0.464881 ] [ 0.101936 0.008063 0.072581 ] [ 0.075671 0.498133 0.078029 ] [ 0.175508 0.747271 0.843205 ] [ 0.176671 0.619637 0.703867 ] [ 0.179049 0.880364 0.705119 ] [ 0.36958 0.121084 0.207441 ] [ 0.364147 0.382903 0.203911 ] [ 0.366534 0.251506 0.344899 ] [ 0.428643 0.495792 0.574506 ] [ 0.432637 0.005847 0.576721 ] [ 0.399847 0.890107 0.96634 ] [ 0.440865 0.623816 0.966814 ] [ 0.394659 0.126075 0.714155 ] [ 0.403776 0.373968 0.708913 ] [ 0.418326 0.107761 0.88321 ] [ 0.447973 0.384637 0.869462 ] [ 0.452193 0.750468 0.497858 ] [ 0.578592 0.250605 0.506885 ] [ 0.580917 0.607253 0.118321 ] [ 0.55865 0.888966 0.131187 ] [ 0.562971 0.627282 0.290817 ] [ 0.558192 0.874462 0.295114 ] [ 0.560284 0.123189 0.034008 ] [ 0.599127 0.389766 0.034551 ] [ 0.611189 0.014388 0.431031 ] [ 0.608892 0.48786 0.429772 ] [ 0.628551 0.751994 0.657139 ] [ 0.630229 0.621082 0.793454 ] [ 0.636446 0.880799 0.796688 ] [ 0.826988 0.117276 0.292647 ] [ 0.820465 0.382124 0.291171 ] [ 0.824797 0.246375 0.157308 ] [ 0.902477 0.508514 0.93019 ] [ 0.924577 0.996572 0.924681 ] [ 0.903727 0.608549 0.536846 ] [ 0.904876 0.891669 0.536746 ] [ 0.890456 0.120561 0.786446 ] [ 0.911569 0.381854 0.784105 ] [ 0.923379 0.112296 0.618993 ] [ 0.92068 0.387073 0.617807 ] [ 0.941575 0.738047 0.004554 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "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" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08133865 "source-unit" "angstrom" } "b" { "source-value" 10.29972608 "source-unit" "angstrom" } "c" { "source-value" 17.23841496 "source-unit" "angstrom" } "alpha" { "source-value" 89.96067155 "source-unit" "degree" } "beta" { "source-value" 89.36630928 "source-unit" "degree" } "gamma" { "source-value" 89.91273988 "source-unit" "degree" } }