{ "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" [ [ 0.445138 0.785538 0.911754 ] [ 0.916568 0.582415 0.618468 ] [ 0.399398 0.286698 0.448962 ] [ 0.692107 0.065831 0.220347 ] [ 0.802729 0.434757 0.263224 ] [ 0.246637 0.321679 0.067067 ] [ 0.189219 0.29109 0.770054 ] [ 0.319171 0.853975 0.456347 ] [ 0.955812 0.002237 0.548521 ] [ 0.859091 0.497608 0.973667 ] [ 0.079276 0.08174 0.038535 ] [ 0.285562 0.808619 0.243364 ] [ 0.399643 0.636104 0.50905 ] [ 0.486614 0.16325 0.844102 ] [ 0.107402 0.025416 0.423335 ] [ 0.006609 0.147755 0.655745 ] [ 0.773455 0.582838 0.334874 ] [ 0.299208 0.400709 0.680109 ] [ 0.964215 0.651216 0.933712 ] [ 0.549917 0.487973 0.955457 ] [ 0.008232 0.364496 0.887291 ] [ 0.52455 0.334134 0.199726 ] [ 0.1114 0.863301 0.594529 ] [ 0.978544 0.454752 0.127732 ] [ 0.928424 0.329571 0.361975 ] [ 0.637264 0.956168 0.502536 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "V" "V" "V" "V" "Cl" "Cl" "Cl" "Cl" "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" 5.51543813 "source-unit" "angstrom" } "b" { "source-value" 9.8565234 "source-unit" "angstrom" } "c" { "source-value" 10.97809996 "source-unit" "angstrom" } "alpha" { "source-value" 95.27171943 "source-unit" "degree" } "beta" { "source-value" 97.49433389 "source-unit" "degree" } "gamma" { "source-value" 95.48225878 "source-unit" "degree" } }