{ "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" [ [ 0.44332 0.505189 0.327675 ] [ 0.94332 0.494811 0.172325 ] [ 0.55668 0.005189 0.672325 ] [ 0.05668 0.994811 0.827675 ] [ 0.55668 0.494811 0.672325 ] [ 0.05668 0.505189 0.827675 ] [ 0.44332 0.994811 0.327675 ] [ 0.94332 0.005189 0.172325 ] [ 0.921995 0.75 0.494112 ] [ 0.578005 0.75 0.994112 ] [ 0.078005 0.25 0.505888 ] [ 0.421995 0.25 0.005888 ] [ 0.575182 0.75 0.492435 ] [ 0.333049 0.954986 0.075766 ] [ 0.833049 0.045014 0.424234 ] [ 0.666951 0.454986 0.924234 ] [ 0.075182 0.25 0.007565 ] [ 0.660189 0.75 0.204793 ] [ 0.924818 0.75 0.992435 ] [ 0.424818 0.25 0.507565 ] [ 0.123109 0.75 0.318483 ] [ 0.160189 0.25 0.295207 ] [ 0.339811 0.25 0.795207 ] [ 0.839811 0.75 0.704793 ] [ 0.666951 0.045014 0.924234 ] [ 0.623109 0.25 0.181517 ] [ 0.876891 0.25 0.681517 ] [ 0.376891 0.75 0.818483 ] [ 0.833049 0.454986 0.424234 ] [ 0.333049 0.545014 0.075766 ] [ 0.166951 0.954986 0.575766 ] [ 0.166951 0.545014 0.575766 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Pr" "Pr" "Pr" "Pr" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.64896751 "source-unit" "angstrom" } "b" { "source-value" 9.28755764 "source-unit" "angstrom" } "c" { "source-value" 13.70237996 "source-unit" "angstrom" } }