{ "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" [ [ 0.661263 0.591595 0.732532 ] [ 0.338737 0.408405 0.267468 ] [ 0.039396 0.661327 0.864853 ] [ 0.960604 0.338673 0.135147 ] [ 0.180964 0.834876 0.865723 ] [ 0.819036 0.165124 0.134277 ] [ 0.156288 0.656988 0.986273 ] [ 0.843712 0.343012 0.013727 ] [ 0.842534 0.988799 0.654354 ] [ 0.157466 0.011201 0.345646 ] [ 0.409297 0.266746 0.997612 ] [ 0.590703 0.733254 0.002388 ] [ 0.603807 0.174899 0.882943 ] [ 0.396193 0.825101 0.117057 ] [ 0.29415 0.262002 0.87757 ] [ 0.70585 0.737998 0.12243 ] [ 0.988259 0.163444 0.642881 ] [ 0.011741 0.836556 0.357119 ] [ 0.575716 0.843126 0.345708 ] [ 0.424284 0.156874 0.654292 ] [ 0.733366 0.556368 0.334265 ] [ 0.266634 0.443632 0.665735 ] [ 0.592291 0.636936 0.460065 ] [ 0.407709 0.363064 0.539935 ] [ 0.840427 0.171803 0.531262 ] [ 0.159573 0.828197 0.468738 ] [ 0.418096 0.321223 0.627303 ] [ 0.1618 0.850199 0.380981 ] [ 0.428881 0.288786 0.909643 ] [ 0.581904 0.678777 0.372697 ] [ 0.819268 0.324658 0.10161 ] [ 0.180732 0.675342 0.89839 ] [ 0.571119 0.711214 0.090357 ] [ 0.8382 0.149801 0.619019 ] [ 0.406755 0.508089 0.869057 ] [ 0.593245 0.491911 0.130943 ] [ 0.627126 0.321468 0.658396 ] [ 0.177495 0.362354 0.382663 ] [ 0.866267 0.35658 0.805026 ] [ 0.133733 0.64342 0.194974 ] [ 0.822505 0.637646 0.617337 ] [ 0.378669 0.200306 0.198563 ] [ 0.621331 0.799694 0.801437 ] [ 0.372874 0.678532 0.341604 ] [ 0.354128 0.735539 0.672685 ] [ 0.645872 0.264461 0.327315 ] ] } "species" { "source-value" [ "Re" "Re" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.37771402 "source-unit" "angstrom" } "b" { "source-value" 6.88798517 "source-unit" "angstrom" } "c" { "source-value" 12.78209626 "source-unit" "angstrom" } "alpha" { "source-value" 78.3167718 "source-unit" "degree" } "beta" { "source-value" 81.80995565 "source-unit" "degree" } "gamma" { "source-value" 63.51613073 "source-unit" "degree" } }