{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imm2" } "basis-atom-coordinates" { "source-value" [ [ 0.756609 0 0.75502 ] [ 0.5 0.757116 0.003775 ] [ 0.5 0.242884 0.003775 ] [ 0.243391 0 0.75502 ] [ 0.256609 0.5 0.25502 ] [ 0 0.257116 0.503775 ] [ 0 0.742884 0.503775 ] [ 0.743391 0.5 0.25502 ] [ 0 0.5 0.875122 ] [ 0 0.5 0.110742 ] [ 0 0 0.124357 ] [ 0.5 0 0.375122 ] [ 0.5 0 0.610742 ] [ 0.5 0.5 0.624357 ] [ 0.5 0.735451 0.243185 ] [ 0.723802 0.5 0.001412 ] [ 0 0.764549 0.743185 ] [ 0.276198 0.5 0.001412 ] [ 0.73553 0 0.993414 ] [ 0.26447 0 0.993414 ] [ 0 0.743414 0.261983 ] [ 0.5 0.756586 0.761983 ] [ 0 0.235451 0.743185 ] [ 0.223802 0 0.501412 ] [ 0.5 0.264549 0.243185 ] [ 0.776198 0 0.501412 ] [ 0.23553 0.5 0.493414 ] [ 0.76447 0.5 0.493414 ] [ 0.5 0.243414 0.761983 ] [ 0 0.256586 0.261983 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.00712137 "source-unit" "angstrom" } "b" { "source-value" 8.02751487 "source-unit" "angstrom" } "c" { "source-value" 11.32389508 "source-unit" "angstrom" } }