{ "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" [ [ 0.623689 0.257932 0.126161 ] [ 0.76225 0.627837 0.122893 ] [ 0.131289 0.232344 0.606224 ] [ 0.751196 0.130146 0.616309 ] [ 0.858623 0.645933 0.74815 ] [ 0.347504 0.633991 0.270939 ] [ 0.896821 0.136995 0.254587 ] [ 0.38453 0.231572 0.378504 ] [ 0.751467 0.367268 0.357698 ] [ 0.276238 0.629065 0.552603 ] [ 0.714984 0.411358 0.539896 ] [ 0.201701 0.741571 0.683642 ] [ 0.621729 0.420136 0.741102 ] [ 0.461852 0.714052 0.589331 ] [ 0.133701 0.880931 0.752666 ] [ 0.621268 0.699224 0.649608 ] [ 0.410229 0.219646 0.970889 ] [ 0.117671 0.387749 0.723289 ] [ 0.249043 0.155847 0.21873 ] [ 0.744714 0.934033 0.464113 ] [ 0.133362 0.757467 0.117951 ] [ 0.750553 0.317984 0.79963 ] [ 0.874754 0.232412 0.878877 ] [ 0.013075 0.497911 0.755008 ] [ 0.408733 0.459132 0.292978 ] [ 0.907507 0.208029 0.053211 ] [ 0.716643 0.843668 0.763782 ] [ 0.771275 0.998639 0.887326 ] [ 0.557601 0.748341 0.038872 ] [ 0.927397 0.901064 0.825807 ] [ 0.123351 0.383015 0.246407 ] [ 0.258707 0.883289 0.362931 ] [ 0.636952 0.880268 0.236797 ] [ 0.891993 0.759103 0.363924 ] [ 0.378941 0.131072 0.736607 ] [ 0.252122 0.377445 0.884423 ] [ 0.375936 0.76179 0.869161 ] [ 0.497215 0.497899 0.006111 ] [ 0.496989 0.003157 0.995553 ] [ 0.019107 0.010805 0.996086 ] [ 0.510789 0.505458 0.488906 ] [ 0.008312 0.510096 0.493677 ] [ 0.506856 0.00362 0.493144 ] [ 0.007066 0.004126 0.500646 ] [ 0.994439 0.500772 0.002255 ] [ 0.030887 0.326223 0.093621 ] [ 0.690326 0.087565 0.001442 ] [ 0.401836 0.081011 0.122934 ] [ 0.293118 0.326659 0.08004 ] [ 0.138415 0.598206 0.066192 ] [ 0.378754 0.574125 0.120601 ] [ 0.519793 0.406601 0.180968 ] [ 0.195103 0.206092 0.38942 ] [ 0.423188 0.083991 0.373108 ] [ 0.692072 0.056528 0.312281 ] [ 0.088826 0.709253 0.320514 ] [ 0.81698 0.890902 0.010161 ] [ 0.798583 0.42128 0.172152 ] [ 0.434077 0.830751 0.189972 ] [ 0.171782 0.464798 0.406028 ] [ 0.520341 0.628485 0.29531 ] [ 0.093908 0.962093 0.334485 ] [ 0.98639 0.812713 0.127398 ] [ 0.920362 0.121627 0.409897 ] [ 0.385681 0.313154 0.502718 ] [ 0.591043 0.173685 0.53065 ] [ 0.717318 0.534562 0.37761 ] [ 0.112356 0.639405 0.569231 ] [ 0.888306 0.001764 0.185058 ] [ 0.121143 0.023447 0.795436 ] [ 0.886601 0.381437 0.4372 ] [ 0.318948 0.491123 0.625809 ] [ 0.403703 0.816415 0.476605 ] [ 0.629333 0.712393 0.471772 ] [ 0.078024 0.883941 0.607528 ] [ 0.032231 0.212989 0.883132 ] [ 0.898514 0.018608 0.688539 ] [ 0.498392 0.378339 0.677409 ] [ 0.820876 0.52247 0.603968 ] [ 0.581425 0.194565 0.804488 ] [ 0.173057 0.558428 0.802848 ] [ 0.236437 0.15139 0.936556 ] [ 0.94956 0.340453 0.689192 ] [ 0.32052 0.901867 0.700524 ] [ 0.569828 0.878412 0.620724 ] [ 0.812823 0.814689 0.579757 ] [ 0.458656 0.593539 0.833166 ] [ 0.60299 0.408321 0.908336 ] [ 0.87209 0.371049 0.93728 ] [ 0.68921 0.689887 0.918984 ] [ 0.594188 0.911165 0.877388 ] [ 0.331749 0.915947 0.953458 ] [ 0.986184 0.679559 0.88351 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 11.54710639 "source-unit" "angstrom" } "b" { "source-value" 11.59260907 "source-unit" "angstrom" } "c" { "source-value" 11.59888334 "source-unit" "angstrom" } "alpha" { "source-value" 109.91233654 "source-unit" "degree" } "beta" { "source-value" 108.61112012 "source-unit" "degree" } "gamma" { "source-value" 109.71164068 "source-unit" "degree" } }