{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.251237 0.375749 0.74862 ] [ 0.748763 0.624251 0.25138 ] [ 0.499958 0.249371 0.500525 ] [ 0 0.5 0 ] [ 0.248033 0.873402 0.749266 ] [ 0.751967 0.126598 0.250734 ] [ 0.500042 0.750629 0.499475 ] [ 0.623778 0.184628 0.87598 ] [ 0.376222 0.815372 0.12402 ] [ 0.125192 0.438654 0.375147 ] [ 0.624906 0.684827 0.874474 ] [ 0.874972 0.061172 0.625022 ] [ 0.375094 0.315173 0.125526 ] [ 0.125028 0.938828 0.374978 ] [ 0.874808 0.561346 0.624853 ] [ 0.836544 0.59903 0.43942 ] [ 0.414365 0.778288 0.310786 ] [ 0.332174 0.84455 0.93816 ] [ 0.916369 0.022006 0.809914 ] [ 0.163456 0.40097 0.56058 ] [ 0.585635 0.221712 0.689214 ] [ 0.086154 0.475138 0.189879 ] [ 0.668344 0.651691 0.058786 ] [ 0.836472 0.099395 0.439674 ] [ 0.413775 0.278378 0.311046 ] [ 0.331656 0.348309 0.941214 ] [ 0.913846 0.524862 0.810121 ] [ 0.586225 0.721622 0.688954 ] [ 0.083631 0.977994 0.190086 ] [ 0.163528 0.900605 0.560326 ] [ 0.667826 0.15545 0.06184 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.15659611 "source-unit" "angstrom" } "b" { "source-value" 5.96221586 "source-unit" "angstrom" } "c" { "source-value" 10.71702929 "source-unit" "angstrom" } "alpha" { "source-value" 105.90492459 "source-unit" "degree" } "beta" { "source-value" 94.61416177 "source-unit" "degree" } "gamma" { "source-value" 107.03157945 "source-unit" "degree" } }