{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.499585 0.178463 0.743627 ] [ 0.499585 0.821537 0.243627 ] [ 0.999585 0.678463 0.743627 ] [ 0.999585 0.321537 0.243627 ] [ 0.000901 0.921816 0.750608 ] [ 0.000901 0.078184 0.250608 ] [ 0.500901 0.421816 0.750608 ] [ 0.500901 0.578184 0.250608 ] [ 0.751403 0.039554 0.893471 ] [ 0.003582 0.804676 0.007152 ] [ 0.500209 0.131336 0.255625 ] [ 0.99382 0.804339 0.494249 ] [ 0.751403 0.960446 0.393471 ] [ 0.246814 0.039646 0.607949 ] [ 0.003582 0.195324 0.507152 ] [ 0.500209 0.868664 0.755625 ] [ 0.99382 0.195661 0.994249 ] [ 0.246814 0.960354 0.107949 ] [ 0.251403 0.539554 0.893471 ] [ 0.503582 0.304676 0.007152 ] [ 0.000209 0.631336 0.255625 ] [ 0.49382 0.304339 0.494249 ] [ 0.251403 0.460446 0.393471 ] [ 0.746814 0.539646 0.607949 ] [ 0.503582 0.695324 0.507152 ] [ 0.000209 0.368664 0.755625 ] [ 0.49382 0.695661 0.994249 ] [ 0.746814 0.460354 0.107949 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.41181244 "source-unit" "angstrom" } "b" { "source-value" 21.98275645 "source-unit" "angstrom" } "c" { "source-value" 7.98041326 "source-unit" "angstrom" } "beta" { "source-value" 95.42409356 "source-unit" "degree" } }