{ "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" [ [ 0.000091 0.000282 0.999834 ] [ 0.491779 0.845604 0.665826 ] [ 0.007946 0.679306 0.33284 ] [ 0.500117 0.500304 0.99992 ] [ 0.975305 0.373813 0.66956 ] [ 0.524352 0.207471 0.336364 ] [ 0.79515 0.624481 0.689089 ] [ 0.704569 0.45808 0.355653 ] [ 0.791845 0.978275 0.358031 ] [ 0.696853 0.811074 0.024566 ] [ 0.293357 0.861144 0.310068 ] [ 0.913402 0.958379 0.883035 ] [ 0.588766 0.7827 0.54984 ] [ 0.910811 0.616185 0.216681 ] [ 0.424447 0.86897 0.783912 ] [ 0.07522 0.700404 0.450697 ] [ 0.41324 0.538725 0.116642 ] [ 0.803213 0.311046 0.024476 ] [ 0.197188 0.688976 0.975227 ] [ 0.28471 0.531443 0.642216 ] [ 0.215094 0.364628 0.309084 ] [ 0.587652 0.458701 0.883197 ] [ 0.926721 0.271497 0.550831 ] [ 0.572677 0.104441 0.217495 ] [ 0.093113 0.364435 0.780864 ] [ 0.409062 0.197526 0.447764 ] [ 0.08523 0.040672 0.116786 ] [ 0.708522 0.144706 0.691354 ] [ 0.302898 0.188898 0.975118 ] [ 0.206672 0.027835 0.643028 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.26515447 "source-unit" "angstrom" } "b" { "source-value" 5.4649727 "source-unit" "angstrom" } "c" { "source-value" 14.83636826 "source-unit" "angstrom" } "alpha" { "source-value" 100.25778574 "source-unit" "degree" } "beta" { "source-value" 90.01132037 "source-unit" "degree" } "gamma" { "source-value" 90.00288957 "source-unit" "degree" } }