{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.171114 0.25 0.354299 ] [ 0.163813 0.140239 0.137064 ] [ 0.836187 0.640239 0.862936 ] [ 0.836187 0.859761 0.862936 ] [ 0.163813 0.359761 0.137064 ] [ 0.828886 0.75 0.645701 ] [ 0.545722 0.591456 0.807852 ] [ 0.144415 0.589173 0.983035 ] [ 0.093446 0.75 0.612038 ] [ 0.17178 0.008702 0.375199 ] [ 0.553314 0.75 0.457258 ] [ 0.855585 0.410827 0.016965 ] [ 0.144255 0.25 0.881946 ] [ 0.82822 0.991298 0.624801 ] [ 0.855745 0.75 0.118054 ] [ 0.446686 0.25 0.542742 ] [ 0.82822 0.508702 0.624801 ] [ 0.454278 0.408544 0.192148 ] [ 0.545722 0.908544 0.807852 ] [ 0.144415 0.910827 0.983035 ] [ 0.855585 0.089173 0.016965 ] [ 0.17178 0.491298 0.375199 ] [ 0.454278 0.091456 0.192148 ] [ 0.906554 0.25 0.387962 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.42453685578 "source-unit" "angstrom" } "b" { "source-value" 11.45528693 "source-unit" "angstrom" } "c" { "source-value" 9.87676278673 "source-unit" "angstrom" } "beta" { "source-value" 111.06447948 "source-unit" "degree" } }