{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.911173 0.248449 ] [ 0.5 0.088827 0.751551 ] [ 0.5 0.411173 0.251551 ] [ 0.5 0.588827 0.748449 ] [ 0.5 0.174343 0.015418 ] [ 0.5 0.825657 0.984582 ] [ 0.5 0.674343 0.484582 ] [ 0.5 0.325657 0.515418 ] [ 0 0.171987 0.212799 ] [ 0 0.828013 0.787201 ] [ 0 0.328013 0.712799 ] [ 0 0.671987 0.287201 ] [ 0 0.979463 0.093512 ] [ 0 0.020537 0.906488 ] [ 0 0.479463 0.406488 ] [ 0 0.520537 0.593512 ] [ 0.5 0.161572 0.320269 ] [ 0.5 0.838428 0.679731 ] [ 0.5 0.661572 0.179731 ] [ 0.5 0.338428 0.820269 ] [ 0 0.344722 0.096928 ] [ 0 0.655278 0.903072 ] [ 0 0.844722 0.403072 ] [ 0 0.155278 0.596928 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18035197 "source-unit" "angstrom" } "b" { "source-value" 11.4468372 "source-unit" "angstrom" } "c" { "source-value" 13.2685078 "source-unit" "angstrom" } }