{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.50643 0.422943 0.578406 ] [ 0.00643 0.077057 0.421594 ] [ 0.49357 0.922943 0.921594 ] [ 0.99357 0.577057 0.078406 ] [ 0.511649 0.252994 0.201213 ] [ 0.011649 0.247006 0.798787 ] [ 0.488351 0.752994 0.298787 ] [ 0.988351 0.747006 0.701213 ] [ 0.486445 0.466502 0.916946 ] [ 0.986445 0.033498 0.083054 ] [ 0.513555 0.966502 0.583054 ] [ 0.013555 0.533498 0.416946 ] [ 0.501303 0.600246 0.077648 ] [ 0.001303 0.899754 0.922352 ] [ 0.498697 0.100246 0.422352 ] [ 0.998697 0.399754 0.577648 ] [ 0.257387 0.554274 0.801335 ] [ 0.757387 0.945726 0.198665 ] [ 0.742613 0.054274 0.698665 ] [ 0.242613 0.445726 0.301335 ] [ 0.331599 0.252653 0.971174 ] [ 0.831599 0.247347 0.028826 ] [ 0.668401 0.752653 0.528826 ] [ 0.168401 0.747347 0.471174 ] [ 0.747572 0.512315 0.817342 ] [ 0.247572 0.987685 0.182658 ] [ 0.252428 0.012315 0.682658 ] [ 0.752428 0.487685 0.317342 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Nd" "Nd" "Nd" "Nd" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "O" "O" "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" 5.91758144 "source-unit" "angstrom" } "b" { "source-value" 7.19355038 "source-unit" "angstrom" } "c" { "source-value" 10.02194404 "source-unit" "angstrom" } }