{ "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" [ [ 0.427057 0.291149 0.738329 ] [ 0.572943 0.708851 0.261671 ] [ 0.105904 0.214979 0.243278 ] [ 0.084924 0.244351 0.454284 ] [ 0.915076 0.755649 0.545716 ] [ 0.894096 0.785021 0.756722 ] [ 0 0 0 ] [ 0.013211 0.759341 0.627783 ] [ 0.188288 0.195653 0.142388 ] [ 0.175827 0.26434 0.607034 ] [ 0.199928 0.455761 0.86207 ] [ 0.34193 0.712743 0.120572 ] [ 0.294463 0.014309 0.834734 ] [ 0.368779 0.906354 0.375934 ] [ 0.452294 0.445892 0.35041 ] [ 0.547706 0.554108 0.64959 ] [ 0.631221 0.093646 0.624066 ] [ 0.705537 0.985691 0.165266 ] [ 0.65807 0.287257 0.879428 ] [ 0.800072 0.544239 0.13793 ] [ 0.824173 0.73566 0.392966 ] [ 0.811712 0.804347 0.857612 ] [ 0.986789 0.240659 0.372217 ] ] } "species" { "source-value" [ "Sb" "Sb" "H" "H" "H" "H" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.58314015 "source-unit" "angstrom" } "b" { "source-value" 5.97117615 "source-unit" "angstrom" } "c" { "source-value" 9.41164264 "source-unit" "angstrom" } "alpha" { "source-value" 89.35301853 "source-unit" "degree" } "beta" { "source-value" 86.00942941 "source-unit" "degree" } "gamma" { "source-value" 87.57736467 "source-unit" "degree" } }