{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.185074 0.952419 0.091989 ] [ 0.814926 0.047581 0.908011 ] [ 0.814926 0.452419 0.408011 ] [ 0.030249 0.571605 0.868901 ] [ 0.969751 0.428395 0.131099 ] [ 0.030249 0.928395 0.368901 ] [ 0.185074 0.547581 0.591989 ] [ 0.969751 0.071605 0.631099 ] [ 0.643755 0.939103 0.166741 ] [ 0.356245 0.060897 0.833259 ] [ 0.356245 0.439103 0.333259 ] [ 0.643755 0.560897 0.666741 ] [ 0.100421 0.126669 0.232851 ] [ 0.741401 0.297444 0.565647 ] [ 0.948971 0.749944 0.515494 ] [ 0.258599 0.797444 0.934353 ] [ 0.423822 0.120038 0.16036 ] [ 0.576178 0.620038 0.33964 ] [ 0.051029 0.249944 0.984506 ] [ 0.576178 0.879962 0.83964 ] [ 0.899579 0.873331 0.767149 ] [ 0.769015 0.398912 0.817504 ] [ 0.948971 0.750056 0.015494 ] [ 0.741401 0.202556 0.065647 ] [ 0.769015 0.101088 0.317504 ] [ 0.230985 0.898912 0.682496 ] [ 0.423822 0.379962 0.66036 ] [ 0.899579 0.626669 0.267149 ] [ 0.258599 0.702556 0.434353 ] [ 0.051029 0.250056 0.484506 ] [ 0.230985 0.601088 0.182496 ] [ 0.100421 0.373331 0.732851 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Te" "Te" "Te" "Te" "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" 7.77699215827 "source-unit" "angstrom" } "b" { "source-value" 5.04208732 "source-unit" "angstrom" } "c" { "source-value" 10.9544288217 "source-unit" "angstrom" } "beta" { "source-value" 102.994215568 "source-unit" "degree" } }