{ "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" [ [ 0.11793 0.259649 0.661143 ] [ 0.377145 0.227099 0.149299 ] [ 0.612455 0.765786 0.849704 ] [ 0.882554 0.743064 0.338783 ] [ 0.451802 0.499506 0.603807 ] [ 0.559436 0.493835 0.374301 ] [ 0.959251 0.985331 0.993152 ] [ 0.997393 0.496895 0.001713 ] [ 0.499922 0.001151 0.499766 ] [ 0.139912 0.819085 0.440716 ] [ 0.051999 0.313168 0.832788 ] [ 0.232259 0.392093 0.156209 ] [ 0.261695 0.440575 0.570998 ] [ 0.326082 0.67358 0.928381 ] [ 0.559514 0.812665 0.677043 ] [ 0.227913 0.063402 0.05226 ] [ 0.306996 0.126101 0.669921 ] [ 0.696563 0.878533 0.329646 ] [ 0.750453 0.93474 0.952313 ] [ 0.442872 0.191307 0.324701 ] [ 0.669543 0.324216 0.071052 ] [ 0.729613 0.562374 0.428276 ] [ 0.77102 0.610839 0.845454 ] [ 0.945493 0.685711 0.167791 ] [ 0.859064 0.181193 0.560879 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "H" "H" "H" "W" "W" "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" 5.0138007 "source-unit" "angstrom" } "b" { "source-value" 7.49035286 "source-unit" "angstrom" } "c" { "source-value" 8.3186348 "source-unit" "angstrom" } "alpha" { "source-value" 90.79962845 "source-unit" "degree" } "beta" { "source-value" 90.56782948 "source-unit" "degree" } "gamma" { "source-value" 104.34694978 "source-unit" "degree" } }