{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.679113 0.090734 0.451811 ] [ 0.089542 0.681065 0.943047 ] [ 0.218734 0.08487 0.940207 ] [ 0.09358 0.227744 0.442815 ] [ 0.781874 0.927344 0.055152 ] [ 0.038852 0.935888 0.499296 ] [ 0.99695 0.566154 0.74386 ] [ 0.997276 0.436841 0.253004 ] [ 0.561354 0.005642 0.25132 ] [ 0.435988 0.995568 0.748354 ] [ 0.565491 0.436713 0.751784 ] [ 0.434179 0.561518 0.251627 ] [ 0.689113 0.229371 0.154538 ] [ 0.68823 0.090163 0.662955 ] [ 0.226761 0.6949 0.659674 ] [ 0.327477 0.334267 0.866238 ] [ 0.333638 0.330884 0.368768 ] [ 0.090065 0.682777 0.161138 ] [ 0.912877 0.780863 0.340607 ] [ 0.22792 0.093375 0.157379 ] [ 0.77252 0.907046 0.840384 ] [ 0.087819 0.223991 0.656787 ] [ 0.910235 0.313461 0.835548 ] [ 0.666513 0.667082 0.633059 ] [ 0.666484 0.670764 0.136369 ] [ 0.774968 0.304195 0.337938 ] [ 0.305314 0.91235 0.334258 ] [ 0.310396 0.773448 0.841313 ] [ 0.784743 0.202749 0.418039 ] [ 0.655479 0.261522 0.671587 ] [ 0.76561 0.983921 0.929834 ] [ 0.66286 0.082653 0.16554 ] [ 0.527462 0.381338 0.178143 ] [ 0.46881 0.345094 0.818754 ] [ 0.38736 0.541304 0.669816 ] [ 0.221562 0.769051 0.924499 ] [ 0.257889 0.658686 0.168509 ] [ 0.488475 0.186056 0.32393 ] [ 0.529841 0.088433 0.676546 ] [ 0.327589 0.480833 0.323614 ] [ 0.325726 0.33839 0.969289 ] [ 0.349833 0.315282 0.471337 ] [ 0.175969 0.479786 0.825056 ] [ 0.379079 0.102884 0.181074 ] [ 0.337441 0.179207 0.827311 ] [ 0.092133 0.652595 0.672086 ] [ 0.988426 0.8006 0.243479 ] [ 0.991247 0.804904 0.420716 ] [ 0.007621 0.752158 0.071479 ] [ 0.098891 0.521326 0.183003 ] [ 0.185212 0.324659 0.333142 ] [ 0.920369 0.738698 0.835194 ] [ 0.087903 0.382439 0.670408 ] [ 0.258282 0.084668 0.673642 ] [ 0.794262 0.998921 0.751951 ] [ 0.770211 0.016929 0.573851 ] [ 0.200167 0.003589 0.413172 ] [ 0.73638 0.916807 0.335846 ] [ 0.921795 0.617624 0.332019 ] [ 0.082458 0.26013 0.175396 ] [ 0.81334 0.672443 0.676048 ] [ 0.904476 0.473765 0.817706 ] [ 0.004478 0.224717 0.916787 ] [ 0.026931 0.210262 0.565442 ] [ 0.985983 0.211381 0.740692 ] [ 0.912936 0.342306 0.339596 ] [ 0.66231 0.822379 0.178185 ] [ 0.620409 0.899915 0.819753 ] [ 0.817435 0.528086 0.184846 ] [ 0.677481 0.671129 0.034002 ] [ 0.666951 0.672084 0.530445 ] [ 0.670671 0.519566 0.678993 ] [ 0.461839 0.918655 0.325756 ] [ 0.516173 0.814901 0.677961 ] [ 0.738108 0.344751 0.83378 ] [ 0.800002 0.210036 0.242454 ] [ 0.764919 0.229003 0.065918 ] [ 0.615548 0.461886 0.327659 ] [ 0.525042 0.660999 0.18061 ] [ 0.47141 0.620937 0.824199 ] [ 0.338995 0.917225 0.840518 ] [ 0.235864 0.027017 0.064801 ] [ 0.214811 0.984237 0.236976 ] [ 0.344673 0.738205 0.33246 ] [ 0.202656 0.791583 0.575449 ] [ 0.206466 0.800274 0.74979 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "P" "P" "P" "P" "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" "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" 9.7561367 "source-unit" "angstrom" } "b" { "source-value" 9.75615083 "source-unit" "angstrom" } "c" { "source-value" 14.40892697 "source-unit" "angstrom" } "alpha" { "source-value" 89.3885964 "source-unit" "degree" } "beta" { "source-value" 89.21771184 "source-unit" "degree" } "gamma" { "source-value" 60.11429352 "source-unit" "degree" } }