{ "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" [ [ 0.769536 0.748372 0.022009 ] [ 0.618557 0.254405 0.63645 ] [ 0.381443 0.745595 0.36355 ] [ 0.230464 0.251628 0.977991 ] [ 0.129002 0.754074 0.738951 ] [ 0.870998 0.245926 0.261049 ] [ 0.308355 0.952536 0.697319 ] [ 0.676139 0.433565 0.294675 ] [ 0.986079 0.254962 0.426227 ] [ 0.323861 0.566435 0.705325 ] [ 0.691645 0.047464 0.302681 ] [ 0.013921 0.745038 0.573773 ] [ 0.087997 0.027967 0.207199 ] [ 0.291362 0.768551 0.957265 ] [ 0.912003 0.972033 0.792801 ] [ 0.070897 0.476603 0.20001 ] [ 0.708638 0.231449 0.042735 ] [ 0.929103 0.523397 0.79999 ] [ 0.598229 0.532703 0.206644 ] [ 0.642641 0.446781 0.407371 ] [ 0.347409 0.955686 0.585989 ] [ 0.357359 0.553219 0.592629 ] [ 0.652592 0.044314 0.414011 ] [ 0.054929 0.259567 0.537636 ] [ 0.372522 0.067427 0.779454 ] [ 0.401771 0.467297 0.793356 ] [ 0.945071 0.740433 0.462364 ] [ 0.627478 0.932573 0.220546 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ru" "Ru" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.19459809522 "source-unit" "angstrom" } "b" { "source-value" 7.68874873359 "source-unit" "angstrom" } "c" { "source-value" 10.4670833599 "source-unit" "angstrom" } "alpha" { "source-value" 90.4070309841 "source-unit" "degree" } "beta" { "source-value" 102.117872093 "source-unit" "degree" } "gamma" { "source-value" 90.5382748754 "source-unit" "degree" } }