{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.276066 0.437368 0.675669 ] [ 0.278227 0.778756 0.552664 ] [ 0.276066 0.062632 0.175669 ] [ 0.278227 0.721244 0.052664 ] [ 0.721773 0.278756 0.947336 ] [ 0.723934 0.937368 0.824331 ] [ 0.721773 0.221244 0.447336 ] [ 0.723934 0.562632 0.324331 ] [ 0.218255 0.126871 0.717241 ] [ 0.218255 0.373129 0.217241 ] [ 0.781745 0.626871 0.782759 ] [ 0.781745 0.873129 0.282759 ] [ 0.006375 0.780764 0.791802 ] [ 0.005795 0.602294 0.561003 ] [ 0.006375 0.719236 0.291802 ] [ 0.005795 0.897706 0.061003 ] [ 0.155661 0.571806 0.876821 ] [ 0.155661 0.928194 0.376821 ] [ 0.297423 0.355181 0.954025 ] [ 0.297423 0.144819 0.454025 ] [ 0.313577 0.952357 0.708923 ] [ 0.313577 0.547643 0.208923 ] [ 0.500187 0.103173 0.925789 ] [ 0.502766 0.26095 0.691465 ] [ 0.500187 0.396827 0.425789 ] [ 0.502766 0.23905 0.191465 ] [ 0.497234 0.76095 0.808535 ] [ 0.499813 0.603173 0.574211 ] [ 0.497234 0.73905 0.308535 ] [ 0.499813 0.896827 0.074211 ] [ 0.686423 0.452357 0.791077 ] [ 0.686423 0.047643 0.291077 ] [ 0.702577 0.855181 0.545975 ] [ 0.702577 0.644819 0.045975 ] [ 0.844339 0.071806 0.623179 ] [ 0.844339 0.428194 0.123179 ] [ 0.994205 0.102294 0.938997 ] [ 0.993625 0.280764 0.708198 ] [ 0.994205 0.397706 0.438997 ] [ 0.993625 0.219236 0.208198 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.90341674 "source-unit" "angstrom" } "b" { "source-value" 15.48724423 "source-unit" "angstrom" } "c" { "source-value" 10.42071074 "source-unit" "angstrom" } "beta" { "source-value" 90.9136098 "source-unit" "degree" } }