{ "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" [ [ 0.677242 0.094331 0.439784 ] [ 0.229392 0.676342 0.438064 ] [ 0.336706 0.333044 0.116364 ] [ 0.092207 0.683039 0.940213 ] [ 0.224546 0.087762 0.939146 ] [ 0.905425 0.771318 0.560737 ] [ 0.094575 0.228682 0.439263 ] [ 0.775454 0.912238 0.060854 ] [ 0.907793 0.316961 0.059787 ] [ 0.663294 0.666956 0.883636 ] [ 0.770608 0.323659 0.561936 ] [ 0.322758 0.905669 0.560216 ] [ 0.000419 0.569022 0.748216 ] [ 0.999581 0.430978 0.251784 ] [ 0.567943 0.001507 0.250648 ] [ 0.432057 0.998493 0.749352 ] [ 0.564875 0.430014 0.75541 ] [ 0.435125 0.569986 0.24459 ] [ 0.683221 0.230429 0.158175 ] [ 0.682734 0.086435 0.659396 ] [ 0.235691 0.679754 0.65609 ] [ 0.329232 0.33407 0.874125 ] [ 0.331603 0.335246 0.373419 ] [ 0.091629 0.679775 0.158579 ] [ 0.911878 0.767835 0.341985 ] [ 0.230628 0.0898 0.154876 ] [ 0.769372 0.9102 0.845124 ] [ 0.088122 0.232165 0.658015 ] [ 0.908371 0.320225 0.841421 ] [ 0.668397 0.664754 0.626581 ] [ 0.670768 0.66593 0.125875 ] [ 0.764309 0.320246 0.34391 ] [ 0.317266 0.913565 0.340604 ] [ 0.316779 0.769571 0.841825 ] [ 0.754338 0.242908 0.435596 ] [ 0.665211 0.249983 0.659307 ] [ 0.762428 0.990592 0.934331 ] [ 0.663974 0.081659 0.159578 ] [ 0.515 0.372381 0.173769 ] [ 0.478381 0.334588 0.830023 ] [ 0.382709 0.521697 0.673813 ] [ 0.230671 0.761888 0.926935 ] [ 0.256602 0.661374 0.161119 ] [ 0.485591 0.187144 0.333791 ] [ 0.522883 0.094281 0.678498 ] [ 0.327014 0.487244 0.333055 ] [ 0.329749 0.335995 0.981844 ] [ 0.327673 0.332833 0.480492 ] [ 0.183761 0.486475 0.835247 ] [ 0.373003 0.114661 0.175369 ] [ 0.327933 0.18569 0.835626 ] [ 0.084577 0.666553 0.658152 ] [ 0.000678 0.78917 0.249584 ] [ 0.001255 0.757251 0.43181 ] [ 0.000369 0.755484 0.069191 ] [ 0.112749 0.513515 0.174028 ] [ 0.182565 0.331013 0.330962 ] [ 0.919789 0.742994 0.838489 ] [ 0.096363 0.382829 0.676913 ] [ 0.251023 0.08504 0.657919 ] [ 0.789719 0.997587 0.751137 ] [ 0.757949 0.997222 0.568555 ] [ 0.242051 0.002778 0.431445 ] [ 0.748977 0.91496 0.342081 ] [ 0.903637 0.617171 0.323087 ] [ 0.080211 0.257006 0.161511 ] [ 0.817435 0.668987 0.669038 ] [ 0.887251 0.486485 0.825972 ] [ 0.999631 0.244516 0.930809 ] [ 0.998745 0.242749 0.56819 ] [ 0.999322 0.21083 0.750416 ] [ 0.915423 0.333447 0.341848 ] [ 0.672067 0.81431 0.164374 ] [ 0.626997 0.885339 0.824631 ] [ 0.816239 0.513525 0.164753 ] [ 0.670251 0.664005 0.018156 ] [ 0.672327 0.667167 0.519508 ] [ 0.672986 0.512756 0.666945 ] [ 0.477117 0.905719 0.321502 ] [ 0.514409 0.812856 0.666209 ] [ 0.743398 0.338626 0.838881 ] [ 0.784174 0.207075 0.254802 ] [ 0.769329 0.238112 0.073065 ] [ 0.617291 0.478303 0.326187 ] [ 0.521619 0.665412 0.169977 ] [ 0.485 0.627619 0.826231 ] [ 0.336026 0.918341 0.840422 ] [ 0.237572 0.009408 0.065669 ] [ 0.210281 0.002413 0.248863 ] [ 0.334789 0.750017 0.340693 ] [ 0.245662 0.757092 0.564404 ] [ 0.215826 0.792925 0.745198 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "P" "P" "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" "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" 9.81476189 "source-unit" "angstrom" } "b" { "source-value" 9.83820593 "source-unit" "angstrom" } "c" { "source-value" 13.92464808 "source-unit" "angstrom" } "alpha" { "source-value" 89.76280063 "source-unit" "degree" } "beta" { "source-value" 89.64779823 "source-unit" "degree" } "gamma" { "source-value" 60.17626059 "source-unit" "degree" } }