{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.892043 0.103866 0.189754 ] [ 0.104006 0.397788 0.79335 ] [ 0.895994 0.602212 0.20665 ] [ 0.107957 0.896134 0.810246 ] [ 0.314894 0.202726 0.398839 ] [ 0.307914 0.691739 0.39446 ] [ 0.685106 0.797274 0.601161 ] [ 0.5 0 0 ] [ 0.692086 0.308261 0.60554 ] [ 0.806459 0.192939 0.898493 ] [ 0.806297 0.705595 0.895512 ] [ 0.193703 0.294405 0.104488 ] [ 1 0.5 0.5 ] [ 0.397793 0.602261 0.693799 ] [ 0.193541 0.807061 0.101507 ] [ 0.597226 0.901157 0.301377 ] [ 0.402774 0.098843 0.698623 ] [ 0.602207 0.397739 0.306201 ] ] } "species" { "source-value" [ "Sc" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.22843220111 "source-unit" "angstrom" } "b" { "source-value" 6.04335479942 "source-unit" "angstrom" } "c" { "source-value" 6.76975659441 "source-unit" "angstrom" } "alpha" { "source-value" 77.1820985832 "source-unit" "degree" } "beta" { "source-value" 75.015325279 "source-unit" "degree" } "gamma" { "source-value" 73.2175926867 "source-unit" "degree" } }