{ "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" [ [ 0.923306 0.922858 0.29896 ] [ 0.928607 0.301309 0.242339 ] [ 0.790173 0.227665 0.821991 ] [ 0.709827 0.727665 0.678009 ] [ 0.571393 0.801309 0.257661 ] [ 0.576694 0.422858 0.20104 ] [ 0.423306 0.577142 0.79896 ] [ 0.428607 0.198691 0.742339 ] [ 0.290173 0.272335 0.321991 ] [ 0.209827 0.772335 0.178009 ] [ 0.071393 0.698691 0.757661 ] [ 0.076694 0.077142 0.70104 ] [ 0.755219 0.471259 0.391938 ] [ 0.744781 0.971259 0.108062 ] [ 0.754491 0.542141 0.89224 ] [ 0.745509 0.042141 0.60776 ] [ 0.254491 0.957859 0.39224 ] [ 0.245509 0.457859 0.10776 ] [ 0.255219 0.028741 0.891938 ] [ 0.244781 0.528741 0.608062 ] [ 0.963385 0.75346 0.50789 ] [ 0.896249 0.616226 0.149244 ] [ 0.895542 0.9016 0.849102 ] [ 0.603751 0.116226 0.350756 ] [ 0.604458 0.4016 0.650898 ] [ 0.536615 0.25346 0.99211 ] [ 0.463385 0.74654 0.00789 ] [ 0.395542 0.5984 0.349102 ] [ 0.396249 0.883774 0.649244 ] [ 0.104458 0.0984 0.150898 ] [ 0.103751 0.383774 0.850756 ] [ 0.036615 0.24654 0.49211 ] [ 0.956539 0.137783 0.571933 ] [ 0.9285 0.100429 0.160303 ] [ 0.929655 0.31131 0.403656 ] [ 0.931614 0.403298 0.837772 ] [ 0.892543 0.625051 0.437232 ] [ 0.855307 0.781653 0.182718 ] [ 0.847263 0.588405 0.029148 ] [ 0.842707 0.023303 0.763317 ] [ 0.845866 0.739622 0.811658 ] [ 0.832208 0.834082 0.567601 ] [ 0.838562 0.94569 0.960809 ] [ 0.813442 0.494705 0.219929 ] [ 0.686558 0.994705 0.280071 ] [ 0.661438 0.44569 0.539191 ] [ 0.667792 0.334082 0.932399 ] [ 0.654134 0.239622 0.688342 ] [ 0.652737 0.088405 0.470852 ] [ 0.657293 0.523303 0.736683 ] [ 0.644693 0.281653 0.317282 ] [ 0.607457 0.125051 0.062768 ] [ 0.570345 0.81131 0.096344 ] [ 0.5715 0.600429 0.339697 ] [ 0.568386 0.903298 0.662228 ] [ 0.543461 0.637783 0.928067 ] [ 0.456539 0.362217 0.071933 ] [ 0.431614 0.096702 0.337772 ] [ 0.4285 0.399571 0.660303 ] [ 0.429655 0.18869 0.903656 ] [ 0.392543 0.874949 0.937232 ] [ 0.355307 0.718347 0.682718 ] [ 0.342707 0.476697 0.263317 ] [ 0.347263 0.911595 0.529148 ] [ 0.345866 0.760378 0.311658 ] [ 0.332208 0.665918 0.067601 ] [ 0.338562 0.55431 0.460809 ] [ 0.313442 0.005295 0.719929 ] [ 0.186558 0.505295 0.780071 ] [ 0.161438 0.05431 0.039191 ] [ 0.167792 0.165918 0.432399 ] [ 0.154134 0.260378 0.188342 ] [ 0.157293 0.976697 0.236683 ] [ 0.152737 0.411595 0.970852 ] [ 0.144693 0.218347 0.817282 ] [ 0.107457 0.374949 0.562768 ] [ 0.068386 0.596702 0.162228 ] [ 0.070345 0.68869 0.596344 ] [ 0.0715 0.899571 0.839697 ] [ 0.043461 0.862217 0.428067 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.8739789576 "source-unit" "angstrom" } "b" { "source-value" 8.78454017 "source-unit" "angstrom" } "c" { "source-value" 12.2421585639 "source-unit" "angstrom" } "beta" { "source-value" 90.5371459519 "source-unit" "degree" } }