{ "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" [ [ 0.000744 0.000734 0.000015 ] [ 0.486689 0.497979 0.988721 ] [ 0.994113 0.666881 0.330348 ] [ 0.479641 0.809403 0.671333 ] [ 0.505069 0.167096 0.337516 ] [ 0.018957 0.344592 0.672926 ] [ 0.305644 0.527925 0.77703 ] [ 0.797287 0.980208 0.22542 ] [ 0.204369 0.682176 0.109027 ] [ 0.298086 0.854124 0.441853 ] [ 0.694123 0.48069 0.21448 ] [ 0.299647 0.188212 0.111342 ] [ 0.797593 0.645886 0.554931 ] [ 0.206636 0.35268 0.443755 ] [ 0.703923 0.813744 0.893574 ] [ 0.710354 0.147615 0.561432 ] [ 0.79321 0.320118 0.889567 ] [ 0.203918 0.01994 0.776729 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "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" 4.59656761 "source-unit" "angstrom" } "b" { "source-value" 5.9798223 "source-unit" "angstrom" } "c" { "source-value" 7.65507214 "source-unit" "angstrom" } "alpha" { "source-value" 91.84834454 "source-unit" "degree" } "beta" { "source-value" 90.394463 "source-unit" "degree" } "gamma" { "source-value" 91.76057296 "source-unit" "degree" } }