{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.974681 0.779183 0.081539 ] [ 0.974681 0.279183 0.418461 ] [ 0.474681 0.720817 0.581539 ] [ 0.474681 0.220817 0.918461 ] [ 0.986347 0.236515 0.079217 ] [ 0.986347 0.736515 0.420783 ] [ 0.486347 0.263485 0.579217 ] [ 0.486347 0.763485 0.920783 ] [ 0.452729 0.47538 0.271397 ] [ 0.452729 0.97538 0.228603 ] [ 0.952729 0.02462 0.771397 ] [ 0.952729 0.52462 0.728603 ] [ 0.345751 0.731464 0.091333 ] [ 0.259128 0.343311 0.080749 ] [ 0.071736 0.032834 0.081763 ] [ 0.792967 0.28038 0.221051 ] [ 0.792967 0.78038 0.278949 ] [ 0.071736 0.532834 0.418237 ] [ 0.259128 0.843311 0.419251 ] [ 0.345751 0.231464 0.408667 ] [ 0.845751 0.768536 0.591333 ] [ 0.759128 0.156689 0.580749 ] [ 0.571736 0.467166 0.581763 ] [ 0.292967 0.21962 0.721051 ] [ 0.292967 0.71962 0.778949 ] [ 0.571736 0.967166 0.918237 ] [ 0.759128 0.656689 0.919251 ] [ 0.845751 0.268536 0.908667 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "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" 5.24969789 "source-unit" "angstrom" } "b" { "source-value" 7.8511928 "source-unit" "angstrom" } "c" { "source-value" 8.65702239 "source-unit" "angstrom" } }