{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.509045 0.612525 0.499409 ] [ 0.490955 0.387475 0.999409 ] [ 0.990955 0.112525 0.499409 ] [ 0.009045 0.887475 0.999409 ] [ 0.442473 0.977509 0.250947 ] [ 0.557527 0.022491 0.750947 ] [ 0.057527 0.477509 0.250947 ] [ 0.942473 0.522491 0.750947 ] [ 0.23027 0.881905 0.543264 ] [ 0.76973 0.118095 0.043264 ] [ 0.26973 0.381905 0.543264 ] [ 0.73027 0.618095 0.043264 ] [ 0.335373 0.660261 0.339727 ] [ 0.664627 0.339739 0.839727 ] [ 0.164627 0.160261 0.339727 ] [ 0.835373 0.839739 0.839727 ] [ 0.164396 0.819389 0.150793 ] [ 0.835604 0.180611 0.650793 ] [ 0.335604 0.319389 0.150793 ] [ 0.664396 0.680611 0.650793 ] [ 0.214116 0.574159 0.94096 ] [ 0.785884 0.425841 0.44096 ] [ 0.285884 0.074159 0.94096 ] [ 0.714116 0.925841 0.44096 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Sb" "Sb" "Sb" "Sb" "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" 5.05535336 "source-unit" "angstrom" } "b" { "source-value" 5.68032823 "source-unit" "angstrom" } "c" { "source-value" 11.99543463 "source-unit" "angstrom" } }