{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1c" } "basis-atom-coordinates" { "source-value" [ [ 0.039057 0.768604 0.132441 ] [ 0.231396 0.039057 0.867559 ] [ 0.268604 0.539057 0.632441 ] [ 0.460943 0.268604 0.367559 ] [ 0.539057 0.731396 0.367559 ] [ 0.731396 0.460943 0.632441 ] [ 0.768604 0.960943 0.867559 ] [ 0.960943 0.231396 0.132441 ] [ 0.119853 0.126003 0.170089 ] [ 0.126003 0.880147 0.829911 ] [ 0.373997 0.380147 0.670089 ] [ 0.380147 0.626003 0.329911 ] [ 0.619853 0.373997 0.329911 ] [ 0.626003 0.619853 0.670089 ] [ 0.873997 0.119853 0.829911 ] [ 0.880147 0.873997 0.170089 ] [ 0.028719 0.3358 0.803776 ] [ 0.1642 0.471281 0.303776 ] [ 0.3358 0.971281 0.196224 ] [ 0.471281 0.8358 0.696224 ] [ 0.528719 0.1642 0.696224 ] [ 0.6642 0.028719 0.196224 ] [ 0.8358 0.528719 0.303776 ] [ 0.971281 0.6642 0.803776 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.26046774 "source-unit" "angstrom" } "c" { "source-value" 4.54822874 "source-unit" "angstrom" } }