{ "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" [ [ 0.340708 0.668396 0.15171 ] [ 0.004809 0.992151 0.200081 ] [ 0.007987 0.006036 0.699879 ] [ 0.312208 0.660422 0.366166 ] [ 0.671806 0.348408 0.651769 ] [ 0.653429 0.313063 0.866498 ] [ 0.330633 0.654521 0.851393 ] [ 0.001595 0.994795 0.993982 ] [ 0.990837 0.004915 0.493892 ] [ 0.342175 0.683611 0.646034 ] [ 0.677638 0.334342 0.146534 ] [ 0.65036 0.321152 0.352114 ] [ 0.980011 0.296936 0.596353 ] [ 0.962837 0.293837 0.917163 ] [ 0.370595 0.341705 0.757033 ] [ 0.725048 0.705111 0.596061 ] [ 0.679757 0.651968 0.919016 ] [ 0.006953 0.657492 0.747483 ] [ 0.66545 0.028024 0.741113 ] [ 0.303538 0.052091 0.595649 ] [ 0.33803 0.009181 0.919366 ] [ 0.69662 0.97003 0.096675 ] [ 0.646352 0.970849 0.419833 ] [ 0.337187 0.971149 0.259 ] [ 0.019598 0.361488 0.242892 ] [ 0.28938 0.303692 0.096339 ] [ 0.291916 0.336605 0.415746 ] [ 0.652963 0.655623 0.244749 ] [ 0.000471 0.672498 0.420076 ] [ 0.048678 0.73971 0.095402 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "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" 5.20941492 "source-unit" "angstrom" } "b" { "source-value" 5.23251386 "source-unit" "angstrom" } "c" { "source-value" 14.20909874 "source-unit" "angstrom" } "alpha" { "source-value" 92.12797001 "source-unit" "degree" } "beta" { "source-value" 90.62049136 "source-unit" "degree" } "gamma" { "source-value" 119.6975149 "source-unit" "degree" } }