{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.877862 0.028727 0 ] [ 0.708213 0.832969 0.285084 ] [ 0.391094 0.887901 0 ] [ 0.377862 0.971273 0.5 ] [ 0.873371 0.468215 0.711667 ] [ 0.891094 0.112099 0.5 ] [ 0.664557 0.339022 0 ] [ 0.164557 0.660978 0.5 ] [ 0.208213 0.167031 0.785084 ] [ 0.373371 0.531785 0.788333 ] [ 0.373371 0.531785 0.211667 ] [ 0.873371 0.468215 0.288333 ] [ 0.708213 0.832969 0.714916 ] [ 0.208213 0.167031 0.214916 ] [ 0.998418 0.672677 0 ] [ 0.498418 0.327323 0.5 ] [ 0.710928 0.683058 0 ] [ 0.210928 0.316942 0.5 ] [ 0.074815 0.419083 0 ] [ 0.574815 0.580917 0.5 ] [ 0.09013 0.800463 0.805066 ] [ 0.59013 0.199537 0.694934 ] [ 0.59013 0.199537 0.305066 ] [ 0.09013 0.800463 0.194934 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Nb" "Nb" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.77254827 "source-unit" "angstrom" } "b" { "source-value" 9.6488406 "source-unit" "angstrom" } "c" { "source-value" 10.81128159 "source-unit" "angstrom" } }