{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.001403 0.211696 0.005606 ] [ 0.63727 0 0.829461 ] [ 0.000495 0.756725 0.496626 ] [ 0.000495 0.243275 0.496626 ] [ 0.354338 0 0.173192 ] [ 0.001403 0.788304 0.005606 ] [ 0.501403 0.711696 0.005606 ] [ 0.13727 0.5 0.829461 ] [ 0.500495 0.256725 0.496626 ] [ 0.500495 0.743275 0.496626 ] [ 0.854338 0.5 0.173192 ] [ 0.501403 0.288304 0.005606 ] [ 0.210133 0 0.667547 ] [ 0.811348 0 0.302999 ] [ 0.710133 0.5 0.667547 ] [ 0.311348 0.5 0.302999 ] [ 0.298653 0.140594 0.781215 ] [ 0.298653 0.859406 0.781215 ] [ 0.070662 0 0.414169 ] [ 0.693373 0.859372 0.228319 ] [ 0.693373 0.140628 0.228319 ] [ 0.798653 0.640594 0.781215 ] [ 0.798653 0.359406 0.781215 ] [ 0.570662 0.5 0.414169 ] [ 0.193373 0.359372 0.228319 ] [ 0.193373 0.640628 0.228319 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "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" 6.99088493457 "source-unit" "angstrom" } "b" { "source-value" 11.6008752717 "source-unit" "angstrom" } "c" { "source-value" 6.77701997667 "source-unit" "angstrom" } "beta" { "source-value" 92.622692571 "source-unit" "degree" } }