{ "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" [ [ 0.278799 0.674332 0.888615 ] [ 0.721201 0.325668 0.111385 ] [ 0.266919 0.196336 0.80601 ] [ 0.733081 0.803664 0.19399 ] [ 0.876122 0.734031 0.553946 ] [ 0.123878 0.265969 0.446054 ] [ 0.783726 0.935948 0.813764 ] [ 0.216274 0.064052 0.186236 ] [ 0.19808 0.581171 0.303756 ] [ 0.80192 0.418829 0.696244 ] [ 0.529622 0.83173 0.494761 ] [ 0.470378 0.16827 0.505239 ] [ 0.446462 0.643191 0.206537 ] [ 0.70701 0.807149 0.442594 ] [ 0.942037 0.852674 0.661437 ] [ 0.057963 0.147326 0.338563 ] [ 0.756869 0.803271 0.950535 ] [ 0.243131 0.196729 0.049465 ] [ 0.29299 0.192851 0.557406 ] [ 0.553538 0.356809 0.793463 ] [ 0.026936 0.407395 0.792556 ] [ 0.973064 0.592605 0.207444 ] [ 0.268081 0.398431 0.349612 ] [ 0.51248 0.995827 0.779513 ] [ 0.124848 0.676009 0.46221 ] [ 0.875151 0.323991 0.53779 ] [ 0.057692 0.924181 0.152263 ] [ 0.942308 0.075819 0.847737 ] [ 0.48752 0.004173 0.220487 ] [ 0.731919 0.601569 0.650388 ] ] } "species" { "source-value" [ "K" "K" "V" "V" "B" "B" "P" "P" "P" "P" "H" "H" "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" 5.24817782558 "source-unit" "angstrom" } "b" { "source-value" 8.20210902991 "source-unit" "angstrom" } "c" { "source-value" 8.50016514063 "source-unit" "angstrom" } "alpha" { "source-value" 87.0855896467 "source-unit" "degree" } "beta" { "source-value" 80.3940710034 "source-unit" "degree" } "gamma" { "source-value" 86.2889974712 "source-unit" "degree" } }