{ "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" [ [ 0.3315 0.332085 0.002043 ] [ 0.6685 0.832085 0.497957 ] [ 0.6685 0.667915 0.997957 ] [ 0.3315 0.167915 0.502043 ] [ 0.223141 0.663564 0.173622 ] [ 0.776859 0.163564 0.326378 ] [ 0.776859 0.336436 0.826378 ] [ 0.223141 0.836436 0.673622 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.911564 0.364982 0.137786 ] [ 0.088436 0.864982 0.362214 ] [ 0.088436 0.635018 0.862214 ] [ 0.911564 0.135018 0.637786 ] [ 0.514221 0.962471 0.144003 ] [ 0.485779 0.462471 0.355997 ] [ 0.485779 0.037529 0.855997 ] [ 0.514221 0.537529 0.644003 ] ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.67046473646 "source-unit" "angstrom" } "b" { "source-value" 4.69871443 "source-unit" "angstrom" } "c" { "source-value" 11.2789522176 "source-unit" "angstrom" } "beta" { "source-value" 101.396630834 "source-unit" "degree" } }