{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.851163 0.32387 0.816661 ] [ 0.851163 0.67613 0.316661 ] [ 0.148837 0.32387 0.683339 ] [ 0.148837 0.67613 0.183339 ] [ 0.351163 0.82387 0.816661 ] [ 0.351163 0.17613 0.316661 ] [ 0.648837 0.82387 0.683339 ] [ 0.648837 0.17613 0.183339 ] [ 0.25 0.25 0 ] [ 0.940282 0.821973 0.603841 ] [ 0.059718 0.821973 0.896159 ] [ 0.940282 0.178027 0.103841 ] [ 0.059718 0.178027 0.396159 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.440282 0.321973 0.603841 ] [ 0.559718 0.321973 0.896159 ] [ 0.440282 0.678027 0.103841 ] [ 0.559718 0.678027 0.396159 ] [ 0.25 0.75 0.5 ] [ 0.181226 0.065677 0.837901 ] [ 0.181226 0.934323 0.337901 ] [ 0.894376 0.971692 0.927403 ] [ 0.867535 0.538602 0.517672 ] [ 0.894376 0.028308 0.427403 ] [ 0 0.626611 0.75 ] [ 0.867535 0.461398 0.017672 ] [ 0.132465 0.538602 0.982328 ] [ 0 0.373389 0.25 ] [ 0.105624 0.971692 0.572597 ] [ 0.132465 0.461398 0.482328 ] [ 0.105624 0.028308 0.072597 ] [ 0.818774 0.065677 0.662099 ] [ 0.818774 0.934323 0.162099 ] [ 0.681226 0.565677 0.837901 ] [ 0.681226 0.434323 0.337901 ] [ 0.394376 0.471692 0.927403 ] [ 0.367535 0.038602 0.517672 ] [ 0.394376 0.528308 0.427403 ] [ 0.5 0.126611 0.75 ] [ 0.367535 0.961398 0.017672 ] [ 0.632465 0.038602 0.982328 ] [ 0.5 0.873389 0.25 ] [ 0.605624 0.471692 0.572597 ] [ 0.632465 0.961398 0.482328 ] [ 0.605624 0.528308 0.072597 ] [ 0.318774 0.565677 0.662099 ] [ 0.318774 0.434323 0.162099 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 10.28823845 "source-unit" "angstrom" } "b" { "source-value" 4.93868146 "source-unit" "angstrom" } "c" { "source-value" 10.57124715 "source-unit" "angstrom" } "beta" { "source-value" 91.94185016 "source-unit" "degree" } }