{ "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" [ [ 0.250209 0.12443 0.952988 ] [ 0.248824 0.033892 0.605068 ] [ 0.750907 0.615573 0.484343 ] [ 0.251093 0.467103 0.872737 ] [ 0.748907 0.532897 0.127263 ] [ 0.249093 0.384427 0.515657 ] [ 0.749791 0.87557 0.047012 ] [ 0.751176 0.966108 0.394932 ] [ 0.249154 0.371194 0.18406 ] [ 0.749775 0.202964 0.107298 ] [ 0.750846 0.628806 0.81594 ] [ 0.749162 0.292857 0.354068 ] [ 0.750529 0.876868 0.723527 ] [ 0.250838 0.707143 0.645932 ] [ 0.250225 0.797036 0.892702 ] [ 0.249471 0.123132 0.276473 ] [ 0.715739 0.255313 0.72901 ] [ 0.284261 0.744687 0.27099 ] [ 0.676417 0.747393 0.263567 ] [ 0.249896 0.63205 0.463568 ] [ 0.003163 0.332272 0.044324 ] [ 0.995822 0.4323 0.309486 ] [ 0.755071 0.0555 0.634089 ] [ 0.009053 0.938876 0.849314 ] [ 0.244929 0.9445 0.365911 ] [ 0.501472 0.666701 0.954625 ] [ 0.012408 0.17131 0.41568 ] [ 0.498528 0.333299 0.045375 ] [ 0.511307 0.830937 0.585319 ] [ 0.750104 0.36795 0.536432 ] [ 0.004178 0.5677 0.690514 ] [ 0.494382 0.938022 0.851578 ] [ 0.990947 0.061124 0.150686 ] [ 0.488693 0.169063 0.414681 ] [ 0.323583 0.252607 0.736433 ] [ 0.987592 0.82869 0.58432 ] [ 0.499832 0.56926 0.689814 ] [ 0.505618 0.061978 0.148422 ] [ 0.996837 0.667728 0.955676 ] [ 0.500168 0.43074 0.310186 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "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" 5.76505372821 "source-unit" "angstrom" } "b" { "source-value" 10.1232028095 "source-unit" "angstrom" } "c" { "source-value" 10.2209232392 "source-unit" "angstrom" } "alpha" { "source-value" 89.5484105354 "source-unit" "degree" } "beta" { "source-value" 89.8254015439 "source-unit" "degree" } "gamma" { "source-value" 89.9926774418 "source-unit" "degree" } }