{ "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" [ [ 0.105658 0.6644 0.638694 ] [ 0.894342 0.3356 0.361306 ] [ 0.254296 0.758702 0.349023 ] [ 0.745704 0.241298 0.650977 ] [ 0.661085 0.914239 0.159618 ] [ 0.338915 0.085761 0.840382 ] [ 0.689222 0.651983 0.863679 ] [ 0.310778 0.348017 0.136321 ] [ 0.594726 0.772336 0.60699 ] [ 0.405274 0.227664 0.39301 ] [ 0.793785 0.809666 0.413291 ] [ 0.206215 0.190334 0.586709 ] [ 0.817281 0.421713 0.113381 ] [ 0.182719 0.578287 0.886619 ] [ 0.811954 0.153242 0.916993 ] [ 0.188046 0.846758 0.083007 ] [ 0.717641 0.614125 0.64959 ] [ 0.282359 0.385875 0.35041 ] [ 0.561046 0.912492 0.700005 ] [ 0.438954 0.087508 0.299995 ] [ 0.406005 0.692862 0.547663 ] [ 0.593995 0.307138 0.452337 ] [ 0.710054 0.890281 0.525834 ] [ 0.289946 0.109719 0.474166 ] [ 0.958634 0.678471 0.441095 ] [ 0.041366 0.321529 0.558905 ] [ 0.865855 0.974936 0.360361 ] [ 0.134145 0.025064 0.639639 ] [ 0.637248 0.701437 0.337927 ] [ 0.362752 0.298563 0.662073 ] [ 0.686471 0.295655 0.165518 ] [ 0.313529 0.704345 0.834482 ] [ 0.978118 0.504517 0.19695 ] [ 0.021882 0.495483 0.80305 ] [ 0.702945 0.57668 0.062549 ] [ 0.297055 0.42332 0.937451 ] [ 0.919515 0.291174 0.022129 ] [ 0.080485 0.708826 0.977871 ] [ 0.692793 0.997535 0.954431 ] [ 0.307207 0.002465 0.045569 ] [ 0.961893 0.06834 0.853755 ] [ 0.038107 0.93166 0.146245 ] [ 0.678627 0.273768 0.848247 ] [ 0.321373 0.726232 0.151753 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 7.58712250453 "source-unit" "angstrom" } "b" { "source-value" 7.64350677464 "source-unit" "angstrom" } "c" { "source-value" 13.6608194258 "source-unit" "angstrom" } "alpha" { "source-value" 95.2172396375 "source-unit" "degree" } "beta" { "source-value" 97.5234226388 "source-unit" "degree" } "gamma" { "source-value" 90.9362424551 "source-unit" "degree" } }