{ "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" [ [ 0.77889 0.219968 0.327299 ] [ 0.22111 0.780032 0.672701 ] [ 0.323099 0.815514 0.828219 ] [ 0.676901 0.184486 0.171781 ] [ 0.021091 0.080132 0.293903 ] [ 0.338454 0.016792 0.627675 ] [ 0.894844 0.458503 0.283131 ] [ 0.876896 0.250262 0.452327 ] [ 0.661546 0.983208 0.372325 ] [ 0.535235 0.353132 0.366028 ] [ 0.464765 0.646868 0.633972 ] [ 0.978909 0.919868 0.706097 ] [ 0.105156 0.541497 0.716869 ] [ 0.123104 0.749738 0.547673 ] [ 0.586226 0.634157 0.874217 ] [ 0.107807 0.737237 0.95127 ] [ 0.413774 0.365843 0.125783 ] [ 0.892193 0.262763 0.04873 ] [ 0.402617 0.109772 0.872177 ] [ 0.597383 0.890228 0.127823 ] [ 0.032677 0.399216 0.743789 ] [ 0.613757 0.572424 0.609229 ] [ 0.967323 0.600784 0.256211 ] [ 0.169943 0.99759 0.277041 ] [ 0.058522 0.734939 0.472472 ] [ 0.590067 0.841925 0.401685 ] [ 0.409933 0.158075 0.598315 ] [ 0.941478 0.265061 0.527528 ] [ 0.386243 0.427576 0.390771 ] [ 0.830057 0.00241 0.722959 ] ] } "species" { "source-value" [ "Cr" "Cr" "P" "P" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "Br" "Br" "Br" "Br" "Br" "Br" "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" 6.79379897609 "source-unit" "angstrom" } "b" { "source-value" 6.91411686128 "source-unit" "angstrom" } "c" { "source-value" 13.8291377058 "source-unit" "angstrom" } "alpha" { "source-value" 88.0188714643 "source-unit" "degree" } "beta" { "source-value" 87.1800285797 "source-unit" "degree" } "gamma" { "source-value" 87.7822235878 "source-unit" "degree" } }