{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.917482 0.743749 0.217077 ] [ 0.917482 0.256251 0.217077 ] [ 0.831985 0 0.718931 ] [ 0.417482 0.243749 0.217077 ] [ 0.417482 0.756251 0.217077 ] [ 0.331985 0.5 0.718931 ] [ 0.173472 0 0.212285 ] [ 0.087592 0.743108 0.712663 ] [ 0.087592 0.256892 0.712663 ] [ 0.673472 0.5 0.212285 ] [ 0.587592 0.243108 0.712663 ] [ 0.587592 0.756892 0.712663 ] [ 0.330592 0 0.493871 ] [ 0.664406 0 0.989648 ] [ 0.830592 0.5 0.493871 ] [ 0.164406 0.5 0.989648 ] [ 0.916479 0.751186 0.59673 ] [ 0.481361 0 0.351416 ] [ 0.33133 0 0.108246 ] [ 0.007666 0 0.298105 ] [ 0.0064 0 0.797148 ] [ 0.916479 0.248814 0.59673 ] [ 0.255745 0.218435 0.340835 ] [ 0.255745 0.781565 0.340835 ] [ 0.831432 0 0.09602 ] [ 0.162941 0 0.596901 ] [ 0.73831 0.22406 0.842991 ] [ 0.73831 0.77594 0.842991 ] [ 0.664431 0 0.611955 ] [ 0.083813 0.749813 0.094666 ] [ 0.518793 0 0.831368 ] [ 0.083813 0.250187 0.094666 ] [ 0.416479 0.251186 0.59673 ] [ 0.981361 0.5 0.351416 ] [ 0.83133 0.5 0.108246 ] [ 0.507666 0.5 0.298105 ] [ 0.5064 0.5 0.797148 ] [ 0.416479 0.748814 0.59673 ] [ 0.755745 0.718435 0.340835 ] [ 0.755745 0.281565 0.340835 ] [ 0.331432 0.5 0.09602 ] [ 0.662941 0.5 0.596901 ] [ 0.23831 0.72406 0.842991 ] [ 0.23831 0.27594 0.842991 ] [ 0.164431 0.5 0.611955 ] [ 0.583813 0.249813 0.094666 ] [ 0.018793 0.5 0.831368 ] [ 0.583813 0.750187 0.094666 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Co" "Co" "Co" "Co" "Co" "Co" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.05732685 "source-unit" "angstrom" } "b" { "source-value" 5.83842039 "source-unit" "angstrom" } "c" { "source-value" 9.1182566 "source-unit" "angstrom" } "beta" { "source-value" 91.56260235 "source-unit" "degree" } }