{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.977413 0.105635 ] [ 0.75 0.022587 0.894365 ] [ 0.75 0.522587 0.605635 ] [ 0.25 0.477413 0.394365 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.25 0.233275 0.732608 ] [ 0.25 0.733275 0.767392 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.266725 0.232608 ] [ 0.75 0.766725 0.267392 ] [ 0.25 0.70506 0.991269 ] [ 0.75 0.29494 0.008731 ] [ 0.75 0.79494 0.491269 ] [ 0.25 0.20506 0.508731 ] [ 0.25 0.243853 0.973096 ] [ 0.75 0.756147 0.026904 ] [ 0.009656 0.983387 0.755315 ] [ 0.490344 0.983387 0.755315 ] [ 0.490344 0.483387 0.744685 ] [ 0.009656 0.483387 0.744685 ] [ 0.75 0.256147 0.473096 ] [ 0.25 0.743853 0.526904 ] [ 0.990344 0.516613 0.255315 ] [ 0.509656 0.516613 0.255315 ] [ 0.509656 0.016613 0.244685 ] [ 0.990344 0.016613 0.244685 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.985285 "source-unit" "angstrom" } "b" { "source-value" 6.22112183 "source-unit" "angstrom" } "c" { "source-value" 8.7170539 "source-unit" "angstrom" } }