{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.337769 0.749322 0.75 ] [ 0.337769 0.750678 0.25 ] [ 0.662231 0.249322 0.75 ] [ 0.662231 0.250678 0.25 ] [ 0.157582 0.102398 0.404447 ] [ 0.157582 0.397602 0.595553 ] [ 0.842418 0.602398 0.095553 ] [ 0.842418 0.897602 0.904447 ] [ 0.842418 0.897602 0.595553 ] [ 0.842418 0.602398 0.404447 ] [ 0.157582 0.397602 0.904447 ] [ 0.157582 0.102398 0.095553 ] [ 0.827839 0.602644 0.75 ] [ 0.827839 0.897356 0.25 ] [ 0.172161 0.102644 0.75 ] [ 0.172161 0.397356 0.25 ] [ 0.646076 0.25 0 ] [ 0.353924 0.75 0.5 ] [ 0.353924 0.75 0 ] [ 0.646076 0.25 0.5 ] [ 0.389707 0.466345 0.412217 ] [ 0.389707 0.033655 0.587783 ] [ 0.610293 0.966345 0.087783 ] [ 0.610293 0.533655 0.912217 ] [ 0.610293 0.533655 0.587783 ] [ 0.610293 0.966345 0.412217 ] [ 0.389707 0.033655 0.912217 ] [ 0.389707 0.466345 0.087783 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.75849118 "source-unit" "angstrom" } "b" { "source-value" 8.32143198 "source-unit" "angstrom" } "c" { "source-value" 13.17825587 "source-unit" "angstrom" } }