{ "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" [ [ 0.941765 0.689477 0.508074 ] [ 0.058235 0.310523 0.491926 ] [ 0.512504 0.714417 0.502091 ] [ 0.487496 0.285583 0.497909 ] [ 0.747986 0.132548 0.675884 ] [ 0.731273 0.34781 0.266796 ] [ 0.219894 0.107844 0.700968 ] [ 0.259202 0.386906 0.240123 ] [ 0.740798 0.613094 0.759877 ] [ 0.780106 0.892156 0.299032 ] [ 0.252014 0.867452 0.324116 ] [ 0.268727 0.65219 0.733204 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.41909997517 "source-unit" "angstrom" } "b" { "source-value" 6.52305928204 "source-unit" "angstrom" } "c" { "source-value" 7.04466279924 "source-unit" "angstrom" } "alpha" { "source-value" 91.7795465452 "source-unit" "degree" } "beta" { "source-value" 103.974244201 "source-unit" "degree" } "gamma" { "source-value" 118.836636922 "source-unit" "degree" } }