{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.423502 0.666092 0.396765 ] [ 0.923502 0.833908 0.103235 ] [ 0.076498 0.166092 0.603235 ] [ 0.576498 0.333908 0.896765 ] [ 0.423502 0.666092 0.103235 ] [ 0.923502 0.833908 0.396765 ] [ 0.076498 0.166092 0.896765 ] [ 0.576498 0.333908 0.603235 ] [ 0.413449 0.837857 0.604594 ] [ 0.913449 0.662143 0.895406 ] [ 0.086551 0.337857 0.395406 ] [ 0.586551 0.162143 0.104594 ] [ 0.586551 0.162143 0.395406 ] [ 0.086551 0.337857 0.104594 ] [ 0.913449 0.662143 0.604594 ] [ 0.413449 0.837857 0.895406 ] [ 0.25381 0.001458 0.25 ] [ 0.75381 0.498542 0.25 ] [ 0.24619 0.501458 0.75 ] [ 0.74619 0.998542 0.75 ] [ 0.747441 0.996081 0.948065 ] [ 0.247441 0.503919 0.551935 ] [ 0.752559 0.496081 0.051935 ] [ 0.252559 0.003919 0.448065 ] [ 0.252559 0.003919 0.051935 ] [ 0.752559 0.496081 0.448065 ] [ 0.247441 0.503919 0.948065 ] [ 0.747441 0.996081 0.551935 ] [ 0.367252 0.38977 0.25 ] [ 0.867252 0.11023 0.25 ] [ 0.132748 0.88977 0.75 ] [ 0.632748 0.61023 0.75 ] [ 0.140922 0.615673 0.25 ] [ 0.640922 0.884327 0.25 ] [ 0.359078 0.115673 0.75 ] [ 0.859078 0.384327 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.15558212 "source-unit" "angstrom" } "b" { "source-value" 9.19744124 "source-unit" "angstrom" } "c" { "source-value" 18.02274993 "source-unit" "angstrom" } }