{ "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" [ [ 0.145967 0.473566 0.740976 ] [ 0.854033 0.526434 0.259024 ] [ 0 0 0 ] [ 0.454229 0.817011 0.138687 ] [ 0.625491 0.828154 0.625772 ] [ 0.374509 0.171846 0.374228 ] [ 0.545771 0.182989 0.861313 ] [ 0 0 0.5 ] [ 0.260905 0.837779 0.994935 ] [ 0.334128 0.669371 0.533086 ] [ 0.420553 0.960348 0.311488 ] [ 0.219904 0.132395 0.867618 ] [ 0.156566 0.148046 0.488359 ] [ 0.343979 0.61239 0.141955 ] [ 0.251852 0.206936 0.217274 ] [ 0.748148 0.793064 0.782726 ] [ 0.656021 0.38761 0.858045 ] [ 0.843434 0.851954 0.511641 ] [ 0.780096 0.867605 0.132382 ] [ 0.579447 0.039652 0.688512 ] [ 0.665872 0.330629 0.466914 ] [ 0.739095 0.162221 0.005065 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ga" "P" "P" "P" "P" "H" "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" 4.84903632 "source-unit" "angstrom" } "b" { "source-value" 7.66364021 "source-unit" "angstrom" } "c" { "source-value" 8.68009674 "source-unit" "angstrom" } "alpha" { "source-value" 108.0790502 "source-unit" "degree" } "beta" { "source-value" 97.03796405 "source-unit" "degree" } "gamma" { "source-value" 105.7793936 "source-unit" "degree" } }