{ "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" [ [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.000104 0.30011 0.399742 ] [ 0.499761 0.897023 0.198264 ] [ 0.999896 0.69989 0.600258 ] [ 0.499701 0.30044 0.398467 ] [ 0.003697 0.102936 0.80179 ] [ 0.996303 0.897064 0.19821 ] [ 0.500299 0.69956 0.601533 ] [ 0.500239 0.102977 0.801736 ] [ 0.833154 0.733582 0.866672 ] [ 0.834231 0.134004 0.066791 ] [ 0.665209 0.865442 0.931978 ] [ 0.83325 0.533652 0.266362 ] [ 0.665075 0.266418 0.133354 ] [ 0.334925 0.733582 0.866646 ] [ 0.664642 0.664662 0.332295 ] [ 0.334791 0.134558 0.068022 ] [ 0.834329 0.933721 0.467372 ] [ 0.165769 0.865996 0.933209 ] [ 0.334958 0.53353 0.26662 ] [ 0.166846 0.266418 0.133328 ] [ 0.834892 0.334668 0.667478 ] [ 0.665267 0.065482 0.533119 ] [ 0.165108 0.665332 0.332522 ] [ 0.334733 0.934518 0.466881 ] [ 0.665042 0.46647 0.73338 ] [ 0.335358 0.335338 0.667705 ] [ 0.165671 0.066279 0.532628 ] [ 0.16675 0.466348 0.733638 ] ] } "species" { "source-value" [ "Li" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.13970727065 "source-unit" "angstrom" } "b" { "source-value" 7.07529425515 "source-unit" "angstrom" } "c" { "source-value" 7.66146830453 "source-unit" "angstrom" } "alpha" { "source-value" 96.3940572014 "source-unit" "degree" } "beta" { "source-value" 101.408423368 "source-unit" "degree" } "gamma" { "source-value" 115.679826923 "source-unit" "degree" } }