{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.030867 0.51455 0.997495 ] [ 0.440484 0.190574 0.813402 ] [ 0.445536 0.411814 0.477988 ] [ 0.554464 0.911814 0.522012 ] [ 0.559516 0.690574 0.186598 ] [ 0.969133 0.01455 0.002505 ] [ 0.025302 0.753377 0.72559 ] [ 0.974698 0.253377 0.27441 ] [ 0.958281 0.250108 0.663345 ] [ 0.041719 0.750108 0.336655 ] [ 0.52448 0.738671 0.879895 ] [ 0.47552 0.238671 0.120105 ] [ 0.352114 0.710729 0.984878 ] [ 0.770489 0.757778 0.924961 ] [ 0.076235 0.066589 0.763248 ] [ 0.009969 0.443589 0.766749 ] [ 0.4591 0.751007 0.732293 ] [ 0.662371 0.213014 0.627153 ] [ 0.111042 0.272799 0.512014 ] [ 0.888958 0.772799 0.487986 ] [ 0.337629 0.713014 0.372847 ] [ 0.5409 0.251007 0.267707 ] [ 0.990031 0.943589 0.233251 ] [ 0.923765 0.566589 0.236752 ] [ 0.229511 0.257778 0.075039 ] [ 0.647886 0.210729 0.015122 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "P" "P" "C" "C" "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" 5.11580739 "source-unit" "angstrom" } "b" { "source-value" 6.47225616 "source-unit" "angstrom" } "c" { "source-value" 8.55450994 "source-unit" "angstrom" } "beta" { "source-value" 91.94336174 "source-unit" "degree" } }