{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.007551 0.5 0.999616 ] [ 0.507551 0 0.999616 ] [ 0.877141 0.5 0.498688 ] [ 0.124539 0 0.501933 ] [ 0.872129 0 0.497845 ] [ 0.751215 0 0.999794 ] [ 0.126478 0.5 0.50148 ] [ 0.377141 0 0.498688 ] [ 0.624539 0.5 0.501933 ] [ 0.372129 0.5 0.497845 ] [ 0.251215 0.5 0.999794 ] [ 0.626478 0 0.50148 ] [ 0.816617 0.746783 0.760111 ] [ 0.936795 0.747151 0.239782 ] [ 0.936795 0.252849 0.239782 ] [ 0.183831 0.754935 0.24038 ] [ 0.063566 0.754917 0.759782 ] [ 0.816617 0.253217 0.760111 ] [ 0.183831 0.245065 0.24038 ] [ 0.063566 0.245083 0.759782 ] [ 0.316617 0.246783 0.760111 ] [ 0.436795 0.247151 0.239782 ] [ 0.436795 0.752849 0.239782 ] [ 0.683831 0.254935 0.24038 ] [ 0.563566 0.254917 0.759782 ] [ 0.316617 0.753217 0.760111 ] [ 0.683831 0.745065 0.24038 ] [ 0.563566 0.745083 0.759782 ] [ 0.932789 0.742848 0.731778 ] [ 0.869137 0.761307 0.000012 ] [ 0.815585 0.760461 0.264374 ] [ 0.805874 0.5 0.725039 ] [ 0.057205 0 0.726777 ] [ 0.195572 0 0.27723 ] [ 0.942604 0.5 0.267534 ] [ 0.183334 0.741491 0.735438 ] [ 0.128026 0.719601 0.999963 ] [ 0.932789 0.257152 0.731778 ] [ 0.067218 0.747992 0.268915 ] [ 0.815585 0.239539 0.264374 ] [ 0.869137 0.238693 0.000012 ] [ 0.249822 0.743646 0.500299 ] [ 0.999458 0.74868 0.499748 ] [ 0.937289 0 0.267402 ] [ 0.06155 0.5 0.732349 ] [ 0.804784 0 0.738438 ] [ 0.193734 0.5 0.264711 ] [ 0.249822 0.256354 0.500299 ] [ 0.183334 0.258509 0.735438 ] [ 0.999458 0.25132 0.499748 ] [ 0.128026 0.280399 0.999963 ] [ 0.067218 0.252008 0.268915 ] [ 0.432789 0.242848 0.731778 ] [ 0.369137 0.261307 0.000012 ] [ 0.315585 0.260461 0.264374 ] [ 0.305874 0 0.725039 ] [ 0.557205 0.5 0.726777 ] [ 0.695572 0.5 0.27723 ] [ 0.442604 0 0.267534 ] [ 0.683334 0.241491 0.735438 ] [ 0.628026 0.219601 0.999963 ] [ 0.432789 0.757152 0.731778 ] [ 0.567218 0.247992 0.268915 ] [ 0.315585 0.739539 0.264374 ] [ 0.369137 0.738693 0.000012 ] [ 0.749822 0.243646 0.500299 ] [ 0.499458 0.24868 0.499748 ] [ 0.437289 0.5 0.267402 ] [ 0.56155 0 0.732349 ] [ 0.304784 0.5 0.738438 ] [ 0.693734 0 0.264711 ] [ 0.749822 0.756354 0.500299 ] [ 0.683334 0.758509 0.735438 ] [ 0.499458 0.75132 0.499748 ] [ 0.628026 0.780399 0.999963 ] [ 0.567218 0.752008 0.268915 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Ti" "Ti" "Ti" "Ti" "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" "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" 15.57126461 "source-unit" "angstrom" } "b" { "source-value" 7.79336909 "source-unit" "angstrom" } "c" { "source-value" 8.76476477 "source-unit" "angstrom" } "beta" { "source-value" 116.33851058 "source-unit" "degree" } }