{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.487948 0.697097 0 ] [ 0.987948 0.302903 0.5 ] [ 0.018706 0.184717 0 ] [ 0.518706 0.815283 0.5 ] [ 0.000852 0.745657 0.250075 ] [ 0.000852 0.745657 0.749925 ] [ 0.500852 0.254343 0.750075 ] [ 0.500852 0.254343 0.249925 ] [ 0.106847 0.721725 0.5 ] [ 0.196375 0.447298 0.197778 ] [ 0.196375 0.447298 0.802222 ] [ 0.289985 0.961526 0.201078 ] [ 0.289985 0.961526 0.798922 ] [ 0.412074 0.215768 0.5 ] [ 0.606847 0.278275 0 ] [ 0.696375 0.552702 0.697778 ] [ 0.696375 0.552702 0.302222 ] [ 0.789985 0.038474 0.298922 ] [ 0.789985 0.038474 0.701078 ] [ 0.912074 0.784232 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ho" "Ho" "Mn" "Mn" "Mn" "Mn" "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" 5.3383539 "source-unit" "angstrom" } "b" { "source-value" 5.54852277 "source-unit" "angstrom" } "c" { "source-value" 7.55909582 "source-unit" "angstrom" } }