{ "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" [ [ 0.150972 0.544354 0.577629 ] [ 0.849028 0.455646 0.422371 ] [ 0.898616 0.502884 0.743885 ] [ 0.380881 0.000622 0.07682 ] [ 0.101384 0.497116 0.256115 ] [ 0.338178 0.492791 0.119826 ] [ 0.170449 0.018922 0.580858 ] [ 0.661822 0.507209 0.880174 ] [ 0.619119 0.999378 0.92318 ] [ 0.829551 0.981078 0.419142 ] [ 0.057931 0.796898 0.735409 ] [ 0.818695 0.267123 0.877255 ] [ 0.041166 0.266203 0.751614 ] [ 0.373718 0.804028 0.566943 ] [ 0.612326 0.744763 0.479702 ] [ 0.626282 0.195972 0.433057 ] [ 0.181305 0.732877 0.122745 ] [ 0.958834 0.733797 0.248386 ] [ 0.540971 0.756004 0.052427 ] [ 0.222594 0.23721 0.225677 ] [ 0.459029 0.243996 0.947573 ] [ 0.777406 0.76279 0.774323 ] [ 0.387674 0.255237 0.520298 ] [ 0.942069 0.203102 0.264591 ] [ 0.340608 0.315359 0.399617 ] [ 0.093712 0.802178 0.212845 ] [ 0.08682 0.86872 0.64142 ] [ 0.681886 0.130501 0.83146 ] [ 0.263679 0.635401 0.476385 ] [ 0.755636 0.856993 0.506301 ] [ 0.438154 0.349958 0.077816 ] [ 0.060785 0.151833 0.212019 ] [ 0.922592 0.350604 0.045961 ] [ 0.016889 0.380164 0.696936 ] [ 0.567144 0.153751 0.266522 ] [ 0.184749 0.349916 0.896744 ] [ 0.736321 0.364599 0.523615 ] [ 0.785502 0.380937 0.824487 ] [ 0.511693 0.882202 0.01977 ] [ 0.318114 0.8695 0.16854 ] [ 0.970032 0.874147 0.374456 ] [ 0.815251 0.650084 0.103256 ] [ 0.218116 0.370014 0.197507 ] [ 0.484646 0.393246 0.670949 ] [ 0.485885 0.166953 0.472407 ] [ 0.659392 0.684641 0.600383 ] [ 0.91318 0.13128 0.35858 ] [ 0.742693 0.877755 0.874918 ] [ 0.514115 0.833047 0.527593 ] [ 0.077408 0.649396 0.954039 ] [ 0.781884 0.629986 0.802493 ] [ 0.328364 0.168434 0.792621 ] [ 0.690851 0.088472 0.463754 ] [ 0.515354 0.606754 0.329051 ] [ 0.671636 0.831566 0.207379 ] [ 0.983111 0.619836 0.303064 ] [ 0.598021 0.360049 0.960108 ] [ 0.989975 0.620712 0.64365 ] [ 0.010025 0.379288 0.35635 ] [ 0.201358 0.853473 0.875601 ] [ 0.029968 0.125853 0.625544 ] [ 0.214498 0.619063 0.175513 ] [ 0.939215 0.848167 0.787981 ] [ 0.257307 0.122245 0.125082 ] [ 0.401979 0.639951 0.039892 ] [ 0.561846 0.650042 0.922184 ] [ 0.488307 0.117798 0.98023 ] [ 0.798642 0.146527 0.124399 ] [ 0.244364 0.143007 0.493699 ] [ 0.906288 0.197822 0.787155 ] [ 0.309149 0.911528 0.536246 ] [ 0.432856 0.846249 0.733478 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 10.3045073 "source-unit" "angstrom" } "b" { "source-value" 10.38173151 "source-unit" "angstrom" } "c" { "source-value" 10.64801078 "source-unit" "angstrom" } "alpha" { "source-value" 111.38196233 "source-unit" "degree" } "beta" { "source-value" 107.71881917 "source-unit" "degree" } "gamma" { "source-value" 105.03995068 "source-unit" "degree" } }