{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.73262 0.749605 0.5 ] [ 0.749605 0.26738 0 ] [ 0.26738 0.250395 0.5 ] [ 0.250395 0.73262 0 ] [ 0.288186 0.145342 0.797272 ] [ 0.145342 0.711814 0.702728 ] [ 0.711814 0.854658 0.797272 ] [ 0.288186 0.145342 0.202728 ] [ 0.145342 0.711814 0.297272 ] [ 0.854658 0.288186 0.297272 ] [ 0.854658 0.288186 0.702728 ] [ 0.711814 0.854658 0.202728 ] [ 0.763194 0.782083 0.898974 ] [ 0.782083 0.236806 0.601026 ] [ 0.217917 0.763194 0.601026 ] [ 0.180086 0.380477 0.282681 ] [ 0.619523 0.180086 0.217319 ] [ 0.782083 0.236806 0.398974 ] [ 0.819914 0.619523 0.717319 ] [ 0.236806 0.217917 0.898974 ] [ 0.380477 0.819914 0.217319 ] [ 0.236806 0.217917 0.101026 ] [ 0.380477 0.819914 0.782681 ] [ 0.180086 0.380477 0.717319 ] [ 0 0 0.75 ] [ 0.619523 0.180086 0.782681 ] [ 0.763194 0.782083 0.101026 ] [ 0.819914 0.619523 0.282681 ] [ 0.217917 0.763194 0.398974 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "V" "V" "V" "V" "V" "V" "V" "V" "O" "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" 5.85324586 "source-unit" "angstrom" } "c" { "source-value" 15.61202517 "source-unit" "angstrom" } }