{ "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" [ [ 0.317898 0.22074 0.638175 ] [ 0.182102 0.72074 0.861825 ] [ 0.682102 0.77926 0.361825 ] [ 0.817898 0.27926 0.138175 ] [ 0.778705 0.277565 0.538126 ] [ 0.721295 0.777565 0.961874 ] [ 0.221295 0.722435 0.461874 ] [ 0.278705 0.222435 0.038126 ] [ 0.632689 0.293996 0.835113 ] [ 0.867311 0.793996 0.664887 ] [ 0.367311 0.706004 0.164887 ] [ 0.132689 0.206004 0.335113 ] [ 0.009163 0.199902 0.813002 ] [ 0.490837 0.699902 0.686998 ] [ 0.990837 0.800098 0.186998 ] [ 0.509163 0.300098 0.313002 ] [ 0.819889 0.935179 0.168196 ] [ 0.680111 0.435179 0.331804 ] [ 0.180111 0.064821 0.831804 ] [ 0.319889 0.564821 0.668196 ] [ 0.592194 0.492299 0.728859 ] [ 0.907806 0.992299 0.771141 ] [ 0.407806 0.507701 0.271141 ] [ 0.092194 0.007701 0.228859 ] [ 0.686752 0.446005 0.957638 ] [ 0.813248 0.946005 0.542362 ] [ 0.313248 0.553995 0.042362 ] [ 0.186752 0.053995 0.457638 ] [ 0.125892 0.392871 0.851552 ] [ 0.374108 0.892871 0.648448 ] [ 0.874108 0.607129 0.148448 ] [ 0.625892 0.107129 0.351552 ] [ 0.328817 0.187896 0.285945 ] [ 0.171183 0.687896 0.214055 ] [ 0.671183 0.812104 0.714055 ] [ 0.828817 0.312104 0.785945 ] [ 0.535656 0.261684 0.152373 ] [ 0.964344 0.761684 0.347627 ] [ 0.464344 0.738316 0.847627 ] [ 0.035656 0.238316 0.652373 ] [ 0.096323 0.330744 0.195282 ] [ 0.403677 0.830744 0.304718 ] [ 0.903677 0.669256 0.804718 ] [ 0.596323 0.169256 0.695282 ] [ 0.179987 0.390924 0.436283 ] [ 0.320013 0.890924 0.063717 ] [ 0.820013 0.609076 0.563717 ] [ 0.679987 0.109076 0.936283 ] [ 0.939511 0.218132 0.362511 ] [ 0.560489 0.718132 0.137489 ] [ 0.060489 0.781868 0.637489 ] [ 0.439511 0.281868 0.862511 ] [ 0.513501 0.682053 0.525409 ] [ 0.986499 0.182053 0.974591 ] [ 0.486499 0.317947 0.474591 ] [ 0.013501 0.817947 0.025409 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.07104363614 "source-unit" "angstrom" } "b" { "source-value" 7.54791717 "source-unit" "angstrom" } "c" { "source-value" 10.8903964161 "source-unit" "angstrom" } "beta" { "source-value" 94.3017129509 "source-unit" "degree" } }