{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.735807 0.182155 0.75 ] [ 0.735807 0.817845 0.25 ] [ 0.235807 0.682155 0.75 ] [ 0.235807 0.317845 0.25 ] [ 0.977774 0.890699 0.75 ] [ 0.977774 0.109301 0.25 ] [ 0.477774 0.390699 0.75 ] [ 0.477774 0.609301 0.25 ] [ 0.994485 0 0.5 ] [ 0.994485 0 0 ] [ 0.477322 0.892317 0.75 ] [ 0.477322 0.107683 0.25 ] [ 0.494485 0.5 0.5 ] [ 0.494485 0.5 0 ] [ 0.977322 0.392317 0.75 ] [ 0.977322 0.607683 0.25 ] [ 0.212145 0.109018 0.491664 ] [ 0.212145 0.890982 0.508336 ] [ 0.742944 0.793392 0.75 ] [ 0.742944 0.206608 0.25 ] [ 0.743099 0.992563 0.75 ] [ 0.743099 0.007437 0.25 ] [ 0.212145 0.109018 0.008336 ] [ 0.212145 0.890982 0.991664 ] [ 0.712145 0.609018 0.491664 ] [ 0.712145 0.390982 0.508336 ] [ 0.242944 0.293392 0.75 ] [ 0.242944 0.706608 0.25 ] [ 0.243099 0.492563 0.75 ] [ 0.243099 0.507437 0.25 ] [ 0.712145 0.609018 0.008336 ] [ 0.712145 0.390982 0.991664 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "V" "V" "V" "V" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.40475252032 "source-unit" "angstrom" } "b" { "source-value" 18.0462344589 "source-unit" "angstrom" } "c" { "source-value" 7.43462522 "source-unit" "angstrom" } }