{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.840339 0.181024 ] [ 0 0.159661 0.818976 ] [ 0 0.659661 0.681024 ] [ 0 0.340339 0.318976 ] [ 0.5 0.025793 0.131683 ] [ 0.5 0.16926 0.99197 ] [ 0.5 0.235955 0.172631 ] [ 0 0.5 0.5 ] [ 0 0.659712 0.955536 ] [ 0 0.096255 0.252663 ] [ 0.5 0.047435 0.679585 ] [ 0 0.903745 0.747337 ] [ 0.5 0.547435 0.820415 ] [ 0.5 0.974207 0.868317 ] [ 0.5 0.659061 0.120761 ] [ 0.5 0.735955 0.327369 ] [ 0.5 0.452565 0.179585 ] [ 0.5 0.952565 0.320415 ] [ 0.5 0.33074 0.49197 ] [ 0 0.596255 0.247337 ] [ 0.5 0.474207 0.631683 ] [ 0.5 0.764045 0.827369 ] [ 0.5 0.159061 0.379239 ] [ 0.5 0.840939 0.620761 ] [ 0.5 0.83074 0.00803 ] [ 0.5 0.66926 0.50803 ] [ 0.5 0 0.5 ] [ 0 0.340288 0.044464 ] [ 0.5 0.525793 0.368317 ] [ 0.5 0.340939 0.879239 ] [ 0 0.403745 0.752663 ] [ 0.5 0.5 0 ] [ 0 0.159712 0.544464 ] [ 0 0.840288 0.455536 ] [ 0.5 0.264045 0.672631 ] [ 0 0 0 ] [ 0 0.534308 0.094212 ] [ 0 0.034308 0.405788 ] [ 0 0.652099 0.40388 ] [ 0 0.965692 0.594212 ] [ 0 0.465692 0.905788 ] [ 0 0.152099 0.09612 ] [ 0 0.847901 0.90388 ] [ 0 0.347901 0.59612 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.00349382 "source-unit" "angstrom" } "b" { "source-value" 12.49105414 "source-unit" "angstrom" } "c" { "source-value" 14.39331561 "source-unit" "angstrom" } }