{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.296551 0.247837 0.879287 ] [ 0.796551 0.252163 0.879287 ] [ 0.203449 0.747837 0.120713 ] [ 0.703449 0.752163 0.120713 ] [ 0.210614 0.910447 0.78032 ] [ 0.710614 0.589553 0.78032 ] [ 0.289386 0.410447 0.21968 ] [ 0.789386 0.089553 0.21968 ] [ 0.221565 0.521957 0.818797 ] [ 0.721565 0.978043 0.818797 ] [ 0.459166 0.382893 0.640799 ] [ 0.959166 0.117107 0.640799 ] [ 0.040834 0.882893 0.359201 ] [ 0.540834 0.617107 0.359201 ] [ 0.778435 0.478043 0.181203 ] [ 0.278435 0.021957 0.181203 ] [ 0.633437 0.457744 0.649832 ] [ 0.766106 0.50268 0.984776 ] [ 0.26651 0.815578 0.905099 ] [ 0.76651 0.684422 0.905099 ] [ 0.402786 0.591261 0.796434 ] [ 0.019296 0.203355 0.757736 ] [ 0.999714 0.564052 0.738206 ] [ 0.24599 0.427522 0.709585 ] [ 0.902786 0.908739 0.796434 ] [ 0.519296 0.296645 0.757736 ] [ 0.499714 0.935948 0.738206 ] [ 0.74599 0.072478 0.709585 ] [ 0.133437 0.042256 0.649832 ] [ 0.266106 0.99732 0.984776 ] [ 0.138614 0.85223 0.554137 ] [ 0.638614 0.64777 0.554137 ] [ 0.361386 0.35223 0.445863 ] [ 0.861386 0.14777 0.445863 ] [ 0.366563 0.542256 0.350168 ] [ 0.866563 0.957744 0.350168 ] [ 0.733894 0.00268 0.015224 ] [ 0.500286 0.064052 0.261794 ] [ 0.480704 0.703355 0.242264 ] [ 0.097214 0.091261 0.203566 ] [ 0.75401 0.572478 0.290415 ] [ 0.000286 0.435948 0.261794 ] [ 0.980704 0.796645 0.242264 ] [ 0.597214 0.408739 0.203566 ] [ 0.23349 0.315578 0.094901 ] [ 0.73349 0.184422 0.094901 ] [ 0.233894 0.49732 0.015224 ] [ 0.25401 0.927522 0.290415 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.24143863677 "source-unit" "angstrom" } "b" { "source-value" 14.1506591672 "source-unit" "angstrom" } "c" { "source-value" 7.62119040155 "source-unit" "angstrom" } "beta" { "source-value" 100.834885445 "source-unit" "degree" } }