{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.297743 0.25 ] [ 0 0.702257 0.75 ] [ 0 0.350081 0.572505 ] [ 0 0.649919 0.072505 ] [ 0 0.649919 0.427495 ] [ 0 0.350081 0.927495 ] [ 0.5 0.797743 0.25 ] [ 0.5 0.202257 0.75 ] [ 0.5 0.850081 0.572505 ] [ 0.5 0.149919 0.072505 ] [ 0.5 0.149919 0.427495 ] [ 0.5 0.850081 0.927495 ] [ 0 0.065889 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.934111 0.25 ] [ 0.5 0.565889 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.434111 0.25 ] [ 0.798231 0.06629 0.615572 ] [ 0.798231 0.06629 0.884428 ] [ 0.201769 0.06629 0.615572 ] [ 0.798231 0.93371 0.115572 ] [ 0.201769 0.93371 0.384428 ] [ 0.201769 0.06629 0.884428 ] [ 0.798231 0.93371 0.384428 ] [ 0.201769 0.93371 0.115572 ] [ 0.298231 0.56629 0.615572 ] [ 0.298231 0.56629 0.884428 ] [ 0.701769 0.56629 0.615572 ] [ 0.298231 0.43371 0.115572 ] [ 0.701769 0.43371 0.384428 ] [ 0.701769 0.56629 0.884428 ] [ 0.298231 0.43371 0.384428 ] [ 0.701769 0.43371 0.115572 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 6.12416828905 "source-unit" "angstrom" } "b" { "source-value" 9.12939597083 "source-unit" "angstrom" } "c" { "source-value" 10.70782262 "source-unit" "angstrom" } }