{ "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" [ [ 0.012567 0.315455 0.2179 ] [ 0.487433 0.815455 0.7821 ] [ 0.987433 0.684545 0.7821 ] [ 0.512567 0.184545 0.2179 ] [ 0.997682 0.43977 0.739148 ] [ 0.502318 0.93977 0.260852 ] [ 0.002318 0.56023 0.260852 ] [ 0.497682 0.06023 0.739148 ] [ 0.511587 0.438661 0.25515 ] [ 0.988413 0.938661 0.74485 ] [ 0.488413 0.561339 0.74485 ] [ 0.011587 0.061339 0.25515 ] [ 0.47201 0.371471 0.787494 ] [ 0.02799 0.871471 0.212506 ] [ 0.97201 0.128529 0.787494 ] [ 0.52799 0.628529 0.212506 ] [ 0.08539 0.240344 0.685236 ] [ 0.41461 0.740344 0.314764 ] [ 0.91461 0.759656 0.314764 ] [ 0.58539 0.259656 0.685236 ] [ 0.780878 0.185943 0.959548 ] [ 0.719122 0.685943 0.040452 ] [ 0.219122 0.814057 0.040452 ] [ 0.280878 0.314057 0.959548 ] [ 0.24784 0.06067 0.992042 ] [ 0.25216 0.56067 0.007958 ] [ 0.75216 0.93933 0.007958 ] [ 0.74784 0.43933 0.992042 ] [ 0.758617 0.067874 0.503157 ] [ 0.741383 0.567874 0.496843 ] [ 0.258617 0.432126 0.503157 ] [ 0.241383 0.932126 0.496843 ] [ 0.276433 0.198115 0.497798 ] [ 0.223567 0.698115 0.502202 ] [ 0.723567 0.801885 0.502202 ] [ 0.776433 0.301885 0.497798 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.55979599326 "source-unit" "angstrom" } "b" { "source-value" 18.76899817 "source-unit" "angstrom" } "c" { "source-value" 7.71029587709 "source-unit" "angstrom" } "beta" { "source-value" 111.875122005 "source-unit" "degree" } }