{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.938885 0.75 ] [ 0 0.061115 0.25 ] [ 0.5 0.438885 0.75 ] [ 0.5 0.561115 0.25 ] [ 0 0.807626 0.091572 ] [ 0 0.192374 0.591572 ] [ 0 0.192374 0.908428 ] [ 0 0.807626 0.408428 ] [ 0.5 0.307626 0.091572 ] [ 0.5 0.692374 0.591572 ] [ 0.5 0.692374 0.908428 ] [ 0.5 0.307626 0.408428 ] [ 0.5 0.917095 0.532989 ] [ 0.5 0.844222 0.25 ] [ 0.5 0.082905 0.467011 ] [ 0.5 0.082905 0.032989 ] [ 0.5 0.155778 0.75 ] [ 0.5 0.917095 0.967011 ] [ 0 0.417095 0.532989 ] [ 0 0.344222 0.25 ] [ 0 0.582905 0.467011 ] [ 0 0.582905 0.032989 ] [ 0 0.655778 0.75 ] [ 0 0.417095 0.967011 ] [ 0.5 0.062793 0.887847 ] [ 0 0.169726 0.430221 ] [ 0.5 0.937207 0.112153 ] [ 0 0.238082 0.75 ] [ 0 0.830274 0.930221 ] [ 0 0.830274 0.569779 ] [ 0.5 0.937207 0.387847 ] [ 0 0.761918 0.25 ] [ 0 0.169726 0.069779 ] [ 0.5 0.062793 0.612153 ] [ 0 0.562793 0.887847 ] [ 0.5 0.669726 0.430221 ] [ 0 0.437207 0.112153 ] [ 0.5 0.738082 0.75 ] [ 0.5 0.330274 0.930221 ] [ 0.5 0.330274 0.569779 ] [ 0 0.437207 0.387847 ] [ 0.5 0.261918 0.25 ] [ 0.5 0.669726 0.069779 ] [ 0 0.562793 0.612153 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.11586353 "source-unit" "angstrom" } "b" { "source-value" 14.68094802 "source-unit" "angstrom" } "c" { "source-value" 17.24349365 "source-unit" "angstrom" } }