{ "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" [ [ 0.08218 0.76594 0.743762 ] [ 0.41782 0.26594 0.756238 ] [ 0.91782 0.23406 0.256238 ] [ 0.58218 0.73406 0.243762 ] [ 0.36056 0.924538 0.012677 ] [ 0.13944 0.424538 0.487323 ] [ 0.63944 0.075462 0.987323 ] [ 0.86056 0.575462 0.512677 ] [ 0.20588 0.921354 0.494451 ] [ 0.29412 0.421354 0.005549 ] [ 0.79412 0.078646 0.505549 ] [ 0.70588 0.578646 0.994451 ] [ 0.235813 0.969817 0.277592 ] [ 0.264187 0.469817 0.222408 ] [ 0.764187 0.030183 0.722408 ] [ 0.735813 0.530183 0.777592 ] [ 0.946294 0.904607 0.481545 ] [ 0.553706 0.404607 0.018455 ] [ 0.053706 0.095393 0.518455 ] [ 0.446294 0.595393 0.981545 ] [ 0.275379 0.819131 0.226262 ] [ 0.224621 0.319131 0.273738 ] [ 0.724621 0.180869 0.773738 ] [ 0.775379 0.680869 0.726262 ] [ 0.226855 0.745019 0.084311 ] [ 0.273145 0.245019 0.415689 ] [ 0.773145 0.254981 0.915689 ] [ 0.726855 0.754981 0.584311 ] [ 0.707422 0.945217 0.255794 ] [ 0.792578 0.445217 0.244206 ] [ 0.292578 0.054783 0.744206 ] [ 0.207422 0.554783 0.755794 ] [ 0.734706 0.892388 0.118708 ] [ 0.765294 0.392388 0.381292 ] [ 0.265294 0.107612 0.881292 ] [ 0.234706 0.607612 0.618708 ] [ 0.995113 0.968325 0.807496 ] [ 0.504887 0.468325 0.692504 ] [ 0.004887 0.031675 0.192504 ] [ 0.495113 0.531675 0.307496 ] [ 0.999384 0.890242 0.930103 ] [ 0.500616 0.390242 0.569897 ] [ 0.000616 0.109758 0.069897 ] [ 0.499384 0.609758 0.430103 ] [ 0.668463 0.888626 0.460928 ] [ 0.831537 0.388626 0.039072 ] [ 0.331537 0.111374 0.539072 ] [ 0.168463 0.611374 0.960928 ] [ 0.51538 0.847245 0.497144 ] [ 0.98462 0.347245 0.002856 ] [ 0.48462 0.152755 0.502856 ] [ 0.01538 0.652755 0.997144 ] [ 0.381856 0.817943 0.749556 ] [ 0.118144 0.317943 0.750444 ] [ 0.618144 0.182057 0.250444 ] [ 0.881856 0.682057 0.249556 ] [ 0.442539 0.742385 0.892621 ] [ 0.057461 0.242385 0.607379 ] [ 0.557461 0.257615 0.107379 ] [ 0.942539 0.757615 0.392621 ] [ 0.550842 0.923228 0.714502 ] [ 0.949158 0.423228 0.785498 ] [ 0.449158 0.076772 0.285498 ] [ 0.050842 0.576772 0.214502 ] [ 0.719071 0.906267 0.86075 ] [ 0.780929 0.406267 0.63925 ] [ 0.280929 0.093733 0.13925 ] [ 0.219071 0.593733 0.36075 ] [ 0.883759 0.766586 0.057671 ] [ 0.616241 0.266586 0.442329 ] [ 0.116241 0.233414 0.942329 ] [ 0.383759 0.733414 0.557671 ] [ 0.98455 0.863545 0.143027 ] [ 0.51545 0.363545 0.356973 ] [ 0.01545 0.136455 0.856973 ] [ 0.48455 0.636455 0.643027 ] [ 0.211927 0.032159 0.559757 ] [ 0.288073 0.532159 0.940243 ] [ 0.788073 0.967841 0.440243 ] [ 0.711927 0.467841 0.059757 ] [ 0.374925 0.857914 0.579198 ] [ 0.125075 0.357914 0.920802 ] [ 0.625075 0.142086 0.420802 ] [ 0.874925 0.642086 0.079198 ] [ 0.159159 0.926941 0.303307 ] [ 0.340841 0.426941 0.196693 ] [ 0.840841 0.073059 0.696693 ] [ 0.659159 0.573059 0.803307 ] [ 0.04734 0.859524 0.502168 ] [ 0.45266 0.359524 0.997832 ] [ 0.95266 0.140476 0.497832 ] [ 0.54734 0.640476 0.002168 ] [ 0.31504 0.791557 0.153978 ] [ 0.18496 0.291557 0.346022 ] [ 0.68496 0.208443 0.846022 ] [ 0.81504 0.708443 0.653978 ] [ 0.651309 0.925808 0.144152 ] [ 0.848691 0.425808 0.355848 ] [ 0.348691 0.074192 0.855848 ] [ 0.151309 0.574192 0.644152 ] [ 0.062468 0.915483 0.874394 ] [ 0.437532 0.415483 0.625606 ] [ 0.937532 0.084517 0.125606 ] [ 0.562468 0.584517 0.374394 ] [ 0.601591 0.827958 0.461997 ] [ 0.898409 0.327958 0.038003 ] [ 0.398409 0.172042 0.538003 ] [ 0.101591 0.672042 0.961997 ] [ 0.367309 0.798316 0.843411 ] [ 0.132691 0.298316 0.656589 ] [ 0.632691 0.201684 0.156589 ] [ 0.867309 0.701684 0.343411 ] [ 0.650708 0.957302 0.790833 ] [ 0.849292 0.457302 0.709167 ] [ 0.349292 0.042698 0.209167 ] [ 0.150708 0.542698 0.290833 ] [ 0.889575 0.840993 0.050387 ] [ 0.610425 0.340993 0.449613 ] [ 0.110425 0.159007 0.949613 ] [ 0.389575 0.659007 0.550387 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 8.93715899368 "source-unit" "angstrom" } "b" { "source-value" 13.54060592 "source-unit" "angstrom" } "c" { "source-value" 9.63271279703 "source-unit" "angstrom" } "beta" { "source-value" 114.526992959 "source-unit" "degree" } }