{ "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" [ [ 0.078381 0.757939 0.265394 ] [ 0.421619 0.257939 0.234606 ] [ 0.921619 0.242061 0.734606 ] [ 0.578381 0.742061 0.765394 ] [ 0.270258 0.243568 0.543257 ] [ 0.229742 0.743568 0.956743 ] [ 0.729742 0.756432 0.456743 ] [ 0.770258 0.256432 0.043257 ] [ 0.172654 0.952549 0.454674 ] [ 0.327346 0.452549 0.045326 ] [ 0.827346 0.047451 0.545326 ] [ 0.672654 0.547451 0.954674 ] [ 0.627685 0.047706 0.919732 ] [ 0.872315 0.547706 0.580268 ] [ 0.372315 0.952294 0.080268 ] [ 0.127685 0.452294 0.419732 ] [ 0.378365 0.729722 0.859318 ] [ 0.121635 0.229722 0.640682 ] [ 0.621635 0.270278 0.140682 ] [ 0.878365 0.770278 0.359318 ] [ 0.079673 0.740755 0.053359 ] [ 0.420327 0.240755 0.446641 ] [ 0.920327 0.259245 0.946641 ] [ 0.579673 0.759245 0.553359 ] [ 0.416091 0.043377 0.671404 ] [ 0.083909 0.543377 0.828596 ] [ 0.583909 0.956623 0.328596 ] [ 0.916091 0.456623 0.171404 ] [ 0.127539 0.019718 0.857682 ] [ 0.372461 0.519718 0.642318 ] [ 0.872461 0.980282 0.142318 ] [ 0.627539 0.480282 0.357682 ] [ 0.204222 0.079614 0.233662 ] [ 0.295778 0.579614 0.266338 ] [ 0.795778 0.920386 0.766338 ] [ 0.704222 0.420386 0.733662 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Sn" "Sn" "Sn" "Sn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 9.11161669482 "source-unit" "angstrom" } "b" { "source-value" 5.72789679 "source-unit" "angstrom" } "c" { "source-value" 11.3788298484 "source-unit" "angstrom" } "beta" { "source-value" 107.511798232 "source-unit" "degree" } }