{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.000396 0.704912 0.146631 ] [ 0.500846 0.802223 0.847851 ] [ 0.99927 0.299502 0.849314 ] [ 0.999861 0.698561 0.649904 ] [ 0.499845 0.200053 0.650237 ] [ 0.500894 0.79932 0.351355 ] [ 0.999251 0.301438 0.350353 ] [ 0.500078 0.200016 0.150659 ] [ 0.699325 0.500185 0.750116 ] [ 0.149492 0.652203 0.905522 ] [ 0.349257 0.850735 0.598688 ] [ 0.349012 0.150077 0.899649 ] [ 0.849527 0.650315 0.399482 ] [ 0.801569 0.000694 0.749301 ] [ 0.150682 0.35013 0.600167 ] [ 0.657103 0.84361 0.099617 ] [ 0.64969 0.149951 0.400608 ] [ 0.853271 0.350023 0.100233 ] [ 0.297465 0.502188 0.251272 ] [ 0.193167 0.993864 0.249042 ] ] } "species" { "source-value" [ "Ti" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.08819989 "source-unit" "angstrom" } "b" { "source-value" 5.46695766 "source-unit" "angstrom" } "c" { "source-value" 7.475578 "source-unit" "angstrom" } "alpha" { "source-value" 95.67222565 "source-unit" "degree" } "beta" { "source-value" 90.04823639 "source-unit" "degree" } "gamma" { "source-value" 90.00269635 "source-unit" "degree" } }