{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.135613 0.115965 ] [ 0.75 0.864387 0.884035 ] [ 0.25 0.635613 0.384035 ] [ 0.75 0.364387 0.615965 ] [ 0.25 0.741985 0.095348 ] [ 0.75 0.258015 0.904652 ] [ 0.25 0.241985 0.404652 ] [ 0.75 0.758015 0.595348 ] [ 0.25 0.500136 0.863025 ] [ 0.75 0.499864 0.136975 ] [ 0.75 0.999864 0.363025 ] [ 0.25 0.000136 0.636975 ] [ 0.25 0.891107 0.024429 ] [ 0.75 0.108893 0.975571 ] [ 0.25 0.391107 0.475571 ] [ 0.75 0.608893 0.524429 ] [ 0.25 0.784013 0.217516 ] [ 0.75 0.215987 0.782484 ] [ 0.25 0.284013 0.282484 ] [ 0.75 0.715987 0.717516 ] [ 0.25 0.535338 0.101956 ] [ 0.75 0.464662 0.898044 ] [ 0.25 0.035338 0.398044 ] [ 0.75 0.964662 0.601956 ] [ 0.75 0.830882 0.390586 ] [ 0.25 0.169118 0.609414 ] [ 0.75 0.330882 0.109414 ] [ 0.25 0.669118 0.890586 ] [ 0.75 0.028013 0.235245 ] [ 0.25 0.971987 0.764755 ] [ 0.25 0.309194 0.928028 ] [ 0.25 0.471987 0.735245 ] [ 0.75 0.190806 0.428028 ] [ 0.25 0.809194 0.571972 ] [ 0.75 0.690806 0.071972 ] [ 0.75 0.528013 0.264755 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.71334374 "source-unit" "angstrom" } "b" { "source-value" 9.82844743 "source-unit" "angstrom" } "c" { "source-value" 12.99695088 "source-unit" "angstrom" } }