{ "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" [ [ 0.235431 0.95447 0.607234 ] [ 0.774808 0.578571 0.176427 ] [ 0.736589 0.227782 0.981403 ] [ 0.270664 0.520226 0.426693 ] [ 0.764569 0.04553 0.392766 ] [ 0.225192 0.421429 0.823573 ] [ 0.729336 0.479774 0.573307 ] [ 0.263411 0.772218 0.018597 ] [ 0.716086 0.847665 0.755942 ] [ 0.283914 0.152335 0.244058 ] [ 0.970184 0.709329 0.609015 ] [ 0.511431 0.176003 0.637198 ] [ 0.029816 0.290671 0.390985 ] [ 0.518212 0.633482 0.804081 ] [ 0.115431 0.168451 0.073244 ] [ 0.488569 0.823997 0.362802 ] [ 0.481788 0.366518 0.195919 ] [ 0.884569 0.831549 0.926756 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ti" "Ti" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.00401914251 "source-unit" "angstrom" } "b" { "source-value" 6.04168583333 "source-unit" "angstrom" } "c" { "source-value" 9.01435434715 "source-unit" "angstrom" } "alpha" { "source-value" 71.6288983135 "source-unit" "degree" } "beta" { "source-value" 79.4677479712 "source-unit" "degree" } "gamma" { "source-value" 68.0872312948 "source-unit" "degree" } }