{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.181793 0.681793 0 ] [ 0.681793 0.818207 0 ] [ 0.318207 0.181793 0 ] [ 0.818207 0.318207 0 ] [ 0.323483 0.461282 0.5 ] [ 0.676517 0.538718 0.5 ] [ 0.538718 0.323483 0.5 ] [ 0.461282 0.676517 0.5 ] [ 0 0 0.202632 ] [ 0.5 0.5 0.797368 ] [ 0 0 0.797368 ] [ 0.5 0.5 0.202632 ] [ 0.586903 0.086903 0.5 ] [ 0.086903 0.413097 0.5 ] [ 0.913097 0.586903 0.5 ] [ 0.413097 0.913097 0.5 ] [ 0.038718 0.176517 0.5 ] [ 0.176517 0.961282 0.5 ] [ 0.823483 0.038718 0.5 ] [ 0.961282 0.823483 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.06972816 "source-unit" "angstrom" } "c" { "source-value" 3.99707892 "source-unit" "angstrom" } }