{ "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" [ [ 0.439474 0.056479 0.233225 ] [ 0.560526 0.943521 0.766775 ] [ 0.947108 0.280039 0.154573 ] [ 0.052892 0.719961 0.845427 ] [ 0.993596 0.150309 0.679651 ] [ 0.006404 0.849691 0.320349 ] [ 0.529197 0.486035 0.760062 ] [ 0.470803 0.513965 0.239938 ] [ 0.200949 0.010784 0.86492 ] [ 0.799051 0.989216 0.13508 ] [ 0.202906 0.04453 0.47959 ] [ 0.797094 0.95547 0.52041 ] [ 0.775223 0.181633 0.806169 ] [ 0.224777 0.818367 0.193831 ] [ 0.639774 0.299721 0.281441 ] [ 0.360226 0.700279 0.718559 ] [ 0.2664 0.438008 0.352998 ] [ 0.7336 0.561992 0.647002 ] [ 0.254273 0.45372 0.982876 ] [ 0.745727 0.54628 0.017124 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.29799848005 "source-unit" "angstrom" } "b" { "source-value" 7.62263221652 "source-unit" "angstrom" } "c" { "source-value" 7.66166075673 "source-unit" "angstrom" } "alpha" { "source-value" 93.6606211007 "source-unit" "degree" } "beta" { "source-value" 114.018586035 "source-unit" "degree" } "gamma" { "source-value" 92.1926613974 "source-unit" "degree" } }