{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.812725 ] [ 0 0 0 ] [ 0.5 0 0.312725 ] [ 0.5 0 0.687275 ] [ 0 0.5 0.187275 ] [ 0.5 0.5 0.5 ] [ 0.457887 0.745409 0 ] [ 0.042113 0.245409 0.5 ] [ 0.957887 0.754591 0.5 ] [ 0.542113 0.254591 0 ] [ 0.249451 0.317461 0 ] [ 0.749451 0.182539 0.5 ] [ 0.801038 0.708234 0.637893 ] [ 0.250549 0.817461 0.5 ] [ 0.301038 0.791766 0.862107 ] [ 0.698962 0.208234 0.862107 ] [ 0.301038 0.791766 0.137893 ] [ 0.698962 0.208234 0.137893 ] [ 0.750549 0.682539 0 ] [ 0.198962 0.291766 0.362107 ] [ 0.198962 0.291766 0.637893 ] [ 0.801038 0.708234 0.362107 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.57234280183 "source-unit" "angstrom" } "b" { "source-value" 5.50238978665 "source-unit" "angstrom" } "c" { "source-value" 8.53012543535 "source-unit" "angstrom" } }