{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.823267 0.157597 0.778176 ] [ 0.176733 0.842403 0.221824 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.82451 0.183702 0.250525 ] [ 0.17549 0.816298 0.749475 ] [ 0.424175 0.598144 0.250293 ] [ 0.575825 0.401856 0.749707 ] [ 0.753711 0.893051 0.065848 ] [ 0.246289 0.106949 0.934152 ] [ 0.123361 0.220725 0.404313 ] [ 0.876639 0.779275 0.595687 ] [ 0.393305 0.814956 0.62197 ] [ 0.606695 0.185044 0.37803 ] [ 0.165428 0.579182 0.872881 ] [ 0.834572 0.420818 0.127119 ] ] } "species" { "source-value" [ "Ca" "Ca" "Zr" "Zr" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.54473900501 "source-unit" "angstrom" } "b" { "source-value" 5.81924395271 "source-unit" "angstrom" } "c" { "source-value" 5.67178398529 "source-unit" "angstrom" } "alpha" { "source-value" 107.202660166 "source-unit" "degree" } "beta" { "source-value" 102.024063686 "source-unit" "degree" } "gamma" { "source-value" 104.129383551 "source-unit" "degree" } }