{ "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" [ [ 0.512535 0.738208 0.752513 ] [ 0.613894 0.702102 0.936225 ] [ 0.058251 0.732559 0.846332 ] [ 0.125361 0.429903 0.689191 ] [ 0.04597 0.41672 0.510946 ] [ 0.318819 0.340409 0.969949 ] [ 0.058085 0.219474 0.843686 ] [ 0.585415 0.261597 0.434615 ] [ 0.578641 0.944139 0.602816 ] [ 0.538144 0.17878 0.257417 ] [ 0.074492 0.01643 0.166749 ] [ 0.06184 0.719779 0.343225 ] [ 0.552668 0.984702 0.090387 ] [ 0.54616 0.482798 0.088855 ] [ 0.564792 0.222108 0.843399 ] [ 0.569762 0.454038 0.596358 ] [ 0.074661 0.947457 0.600228 ] [ 0.816681 0.090785 0.72066 ] [ 0.817515 0.834744 0.468369 ] [ 0.060624 0.218748 0.342166 ] [ 0.562043 0.717646 0.343216 ] [ 0.313416 0.843012 0.470167 ] [ 0.306239 0.603106 0.217528 ] [ 0.047655 0.488647 0.086273 ] [ 0.812321 0.589482 0.217011 ] [ 0.41987 0.533381 0.905939 ] [ 0.189186 0.40834 0.788442 ] [ 0.952485 0.528882 0.905885 ] [ 0.422769 0.056109 0.906134 ] [ 0.703262 0.391629 0.782816 ] [ 0.93397 0.267043 0.654031 ] [ 0.184272 0.908914 0.784229 ] [ 0.693401 0.137729 0.531323 ] [ 0.454291 0.260604 0.653629 ] [ 0.931642 0.041498 0.892316 ] [ 0.704855 0.903344 0.784348 ] [ 0.933939 0.784968 0.656739 ] [ 0.440504 0.033864 0.406345 ] [ 0.229275 0.085448 0.540973 ] [ 0.176516 0.926358 0.268594 ] [ 0.694012 0.652932 0.53161 ] [ 0.450732 0.764517 0.653562 ] [ 0.9249 0.040814 0.407816 ] [ 0.188236 0.643518 0.530595 ] [ 0.403565 0.589496 0.400711 ] [ 0.720287 0.845786 0.285145 ] [ 0.93271 0.786244 0.153332 ] [ 0.668571 0.678438 0.03497 ] [ 0.192884 0.403135 0.278259 ] [ 0.431354 0.780042 0.151236 ] [ 0.93893 0.518077 0.411483 ] [ 0.888884 0.355709 0.143708 ] [ 0.680398 0.410574 0.279836 ] [ 0.218223 0.611611 0.036226 ] [ 0.650961 0.192672 0.040235 ] [ 0.44769 0.282731 0.160309 ] [ 0.206443 0.185721 0.038445 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.92610115 "source-unit" "angstrom" } "b" { "source-value" 6.11211927 "source-unit" "angstrom" } "c" { "source-value" 19.78187736 "source-unit" "angstrom" } "alpha" { "source-value" 82.38280426 "source-unit" "degree" } "beta" { "source-value" 81.38542234 "source-unit" "degree" } "gamma" { "source-value" 61.27042317 "source-unit" "degree" } }