{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.015447 0.75 0.724683 ] [ 0.484553 0.75 0.224683 ] [ 0.984553 0.25 0.275317 ] [ 0.515447 0.25 0.775317 ] [ 0.580805 0.75 0.905875 ] [ 0.919195 0.75 0.405875 ] [ 0.419195 0.25 0.094125 ] [ 0.080805 0.25 0.594125 ] [ 0.743972 0.25 0.099244 ] [ 0.222093 0.457624 0.665752 ] [ 0.722093 0.542376 0.834248 ] [ 0.777907 0.957624 0.334248 ] [ 0.277907 0.042376 0.165752 ] [ 0.777907 0.542376 0.334248 ] [ 0.277907 0.457624 0.165752 ] [ 0.222093 0.042376 0.665752 ] [ 0.256028 0.75 0.900756 ] [ 0.756028 0.25 0.599244 ] [ 0.722093 0.957624 0.834248 ] [ 0.243972 0.75 0.400756 ] [ 0.700156 0.75 0.04844 ] [ 0.299844 0.25 0.95156 ] [ 0.200156 0.25 0.45156 ] [ 0.799844 0.75 0.54844 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.72555261 "source-unit" "angstrom" } "b" { "source-value" 5.91893924 "source-unit" "angstrom" } "c" { "source-value" 10.15739961 "source-unit" "angstrom" } }