{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.955841 0.551611 0.352208 ] [ 0.749843 0.75004 0.749985 ] [ 0.042487 0.95704 0.652449 ] [ 0.957513 0.04296 0.347551 ] [ 0.350907 0.151015 0.549275 ] [ 0.851798 0.147743 0.044651 ] [ 0.656655 0.348304 0.455451 ] [ 0.545714 0.456116 0.150755 ] [ 0.044159 0.448389 0.647792 ] [ 0.454286 0.543884 0.849245 ] [ 0.343345 0.651696 0.544549 ] [ 0.845535 0.650638 0.052022 ] [ 0.148202 0.852257 0.955349 ] [ 0.649093 0.848985 0.450725 ] [ 0.542605 0.944063 0.152207 ] [ 0.457395 0.055937 0.847793 ] [ 0.250157 0.24996 0.250015 ] [ 0.154465 0.349362 0.947978 ] [ 0.097741 0.151163 0.800346 ] [ 0.900176 0.350232 0.199308 ] [ 0.699454 0.548202 0.60072 ] [ 0.099824 0.649768 0.800692 ] [ 0.497169 0.74971 0.000841 ] [ 0.00174 0.751182 0.49885 ] [ 0.902259 0.848837 0.199654 ] [ 0.29875 0.948154 0.400358 ] [ 0.79913 0.952068 0.898849 ] [ 0.70125 0.051846 0.599642 ] [ 0.502831 0.25029 0.999159 ] [ 0.99826 0.248818 0.50115 ] [ 0.403134 0.348529 0.699038 ] [ 0.300546 0.451798 0.39928 ] [ 0.800086 0.446902 0.897753 ] [ 0.596866 0.651471 0.300962 ] [ 0.398352 0.849797 0.700995 ] [ 0.20087 0.047932 0.101151 ] [ 0.601648 0.150203 0.299005 ] [ 0.199914 0.553098 0.102247 ] [ 0.022292 0.679125 0.168745 ] [ 0.911809 0.808968 0.362458 ] [ 0.835456 0.882956 0.573455 ] [ 0.059613 0.940775 0.147649 ] [ 0.717067 0.992789 0.760685 ] [ 0.635131 0.078145 0.97854 ] [ 0.879907 0.121623 0.547036 ] [ 0.038391 0.182705 0.173294 ] [ 0.940387 0.059225 0.852351 ] [ 0.511706 0.203146 0.165503 ] [ 0.088191 0.191032 0.637542 ] [ 0.917016 0.302863 0.359829 ] [ 0.444118 0.28027 0.375664 ] [ 0.667048 0.330989 0.977209 ] [ 0.849125 0.394274 0.557517 ] [ 0.074334 0.425014 0.162323 ] [ 0.723405 0.277436 0.236034 ] [ 0.977708 0.320875 0.831255 ] [ 0.309987 0.404252 0.562125 ] [ 0.887087 0.396996 0.03848 ] [ 0.712948 0.52083 0.759389 ] [ 0.235872 0.482766 0.770679 ] [ 0.477558 0.523067 0.36836 ] [ 0.636645 0.582963 0.970958 ] [ 0.867984 0.632197 0.564478 ] [ 0.522442 0.476933 0.63164 ] [ 0.764128 0.517234 0.229321 ] [ 0.925666 0.574986 0.837677 ] [ 0.112913 0.603004 0.96152 ] [ 0.690013 0.595748 0.437875 ] [ 0.537521 0.701318 0.154865 ] [ 0.082984 0.697137 0.640171 ] [ 0.276595 0.722564 0.763966 ] [ 0.448454 0.786114 0.382047 ] [ 0.671902 0.826131 0.960008 ] [ 0.332952 0.669011 0.022791 ] [ 0.555882 0.71973 0.624336 ] [ 0.722155 0.776632 0.243445 ] [ 0.961609 0.817295 0.826706 ] [ 0.488294 0.796854 0.834497 ] [ 0.308383 0.908694 0.566793 ] [ 0.880106 0.886317 0.039863 ] [ 0.239801 0.980063 0.777439 ] [ 0.474541 0.02714 0.364146 ] [ 0.120093 0.878377 0.452964 ] [ 0.364869 0.921855 0.02146 ] [ 0.525459 0.97286 0.635854 ] [ 0.760199 0.019937 0.222561 ] [ 0.282933 0.007211 0.239315 ] [ 0.119894 0.113683 0.960137 ] [ 0.691617 0.091306 0.433207 ] [ 0.277845 0.223368 0.756555 ] [ 0.164544 0.117044 0.426545 ] [ 0.328098 0.173869 0.039992 ] [ 0.551546 0.213886 0.617953 ] [ 0.462479 0.298682 0.845135 ] [ 0.132016 0.367803 0.435522 ] [ 0.363355 0.417037 0.029042 ] [ 0.287052 0.47917 0.240611 ] [ 0.150875 0.605726 0.442483 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" "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" 9.6327652 "source-unit" "angstrom" } "b" { "source-value" 11.04170617 "source-unit" "angstrom" } "c" { "source-value" 12.38005144 "source-unit" "angstrom" } "alpha" { "source-value" 77.97350333 "source-unit" "degree" } "beta" { "source-value" 75.50982416 "source-unit" "degree" } "gamma" { "source-value" 73.80208765 "source-unit" "degree" } }