{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.769596 0.237805 0.762604 ] [ 0.271025 0.735323 0.762423 ] [ 0.769596 0.762195 0.262604 ] [ 0.271025 0.264677 0.262423 ] [ 0.003009 0.7456 0.002036 ] [ 0.534875 0.742545 0.518656 ] [ 0.534875 0.257455 0.018656 ] [ 0.003009 0.2544 0.502036 ] [ 0.771207 0.476838 0.999022 ] [ 0.800967 0.241552 0.266483 ] [ 0.771207 0.523162 0.499022 ] [ 0.800967 0.758448 0.766483 ] [ 0.223056 0.752283 0.269503 ] [ 0.312466 0.471453 0.5386 ] [ 0.714532 0.97296 0.99597 ] [ 0.253267 0.970439 0.538703 ] [ 0.223056 0.247717 0.769503 ] [ 0.312466 0.528547 0.0386 ] [ 0.253267 0.029561 0.038703 ] [ 0.714532 0.02704 0.49597 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ta" "Ta" "Ta" "Ta" "N" "N" "N" "N" "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" 5.73092103 "source-unit" "angstrom" } "b" { "source-value" 5.72167996 "source-unit" "angstrom" } "c" { "source-value" 9.97924545 "source-unit" "angstrom" } "beta" { "source-value" 124.99481207 "source-unit" "degree" } }