{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.027833 0.006707 0.011509 ] [ 0.653591 0.660686 0.320858 ] [ 0.32427 0.311301 0.663421 ] [ 0.823353 0.826821 0.666373 ] [ 0.469645 0.57217 0.003898 ] [ 0.223691 0.039536 0.31873 ] [ 0.740908 0.240874 0.485714 ] [ 0.425873 0.914544 0.842747 ] [ 0.072847 0.561202 0.15978 ] [ 0.611483 0.11749 0.163822 ] [ 0.903568 0.411741 0.840345 ] [ 0.235319 0.73212 0.497785 ] [ 0.890904 0.484991 0.007524 ] [ 0.875633 0.97274 0.204031 ] [ 0.50314 0.979226 0.489174 ] [ 0.588653 0.208732 0.322651 ] [ 0.869919 0.328511 0.676361 ] [ 0.97525 0.514252 0.496648 ] [ 0.460141 0.536146 0.508021 ] [ 0.157386 0.687384 0.859556 ] [ 0.671655 0.608926 0.826687 ] [ 0.561293 0.952247 0.005541 ] [ 0.296322 0.845874 0.662301 ] [ 0.184224 0.272901 0.873107 ] [ 0.431358 0.346766 0.126053 ] [ 0.686118 0.134087 0.822775 ] [ 0.324252 0.805882 0.155778 ] [ 0.052978 0.979455 0.473591 ] [ 0.162297 0.646099 0.324917 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Y" "Y" "Cu" "Cu" "Cu" "Cu" "W" "W" "O" "O" "O" "O" "O" "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" 5.8839276 "source-unit" "angstrom" } "b" { "source-value" 6.03672993 "source-unit" "angstrom" } "c" { "source-value" 12.24354064 "source-unit" "angstrom" } "alpha" { "source-value" 101.85586794 "source-unit" "degree" } "beta" { "source-value" 101.71336778 "source-unit" "degree" } "gamma" { "source-value" 97.68899221 "source-unit" "degree" } }