{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0.232378 0.766498 0.254417 ] [ 0.767622 0.766498 0.245583 ] [ 0.472696 0 0 ] [ 0.527304 0 0.5 ] [ 0.767622 0.233502 0.754417 ] [ 0.232378 0.233502 0.745583 ] [ 0.732378 0.266498 0.254417 ] [ 0.267622 0.266498 0.245583 ] [ 0.972696 0.5 0 ] [ 0.027304 0.5 0.5 ] [ 0.267622 0.733502 0.754417 ] [ 0.732378 0.733502 0.745583 ] [ 0.003092 0 0.5 ] [ 0.996908 0 0 ] [ 0.503092 0.5 0.5 ] [ 0.496908 0.5 0 ] [ 0 0.07178 0.75 ] [ 0 0.360654 0.75 ] [ 0.189061 0.871436 0.53914 ] [ 0.810939 0.871436 0.96086 ] [ 0 0.370664 0.25 ] [ 0.79388 0.876747 0.52911 ] [ 0.20612 0.876747 0.97089 ] [ 0.20612 0.123253 0.02911 ] [ 0.79388 0.123253 0.47089 ] [ 0 0.629336 0.75 ] [ 0.810939 0.128564 0.03914 ] [ 0.189061 0.128564 0.46086 ] [ 0 0.639346 0.25 ] [ 0 0.92822 0.25 ] [ 0.5 0.57178 0.75 ] [ 0.5 0.860654 0.75 ] [ 0.689061 0.371436 0.53914 ] [ 0.310939 0.371436 0.96086 ] [ 0.5 0.870664 0.25 ] [ 0.29388 0.376747 0.52911 ] [ 0.70612 0.376747 0.97089 ] [ 0.70612 0.623253 0.02911 ] [ 0.29388 0.623253 0.47089 ] [ 0.5 0.129336 0.75 ] [ 0.310939 0.628564 0.03914 ] [ 0.689061 0.628564 0.46086 ] [ 0.5 0.139346 0.25 ] [ 0.5 0.42822 0.25 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Ta" "Ta" "Ta" "Ta" "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" 7.4257588 "source-unit" "angstrom" } "b" { "source-value" 10.43629504 "source-unit" "angstrom" } "c" { "source-value" 7.41193175 "source-unit" "angstrom" } }