{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.138447 0.951618 0.235566 ] [ 0.48217 0.344386 0.926515 ] [ 0.931502 0.663376 0.063536 ] [ 0.55518 0.091019 0.347413 ] [ 0.200038 0.179835 0.599222 ] [ 0.494601 0.834003 0.691457 ] [ 0.673696 0.873356 0.949861 ] [ 0.008328 0.369034 0.897124 ] [ 0.151442 0.214058 0.999678 ] [ 0.429163 0.114824 0.217898 ] [ 0.775578 0.398384 0.942099 ] [ 0.777026 0.105608 0.288081 ] [ 0.465281 0.838497 0.063639 ] [ 0.408871 0.234791 0.470801 ] [ 0.070074 0.130284 0.515246 ] [ 0.84086 0.527678 0.211416 ] [ 0.098279 0.345692 0.695374 ] [ 0.550794 0.887124 0.485121 ] [ 0.082178 0.741264 0.465417 ] [ 0.071946 0.554357 0.893951 ] [ 0.446896 0.649178 0.763654 ] [ 0.569106 0.272288 0.692877 ] [ 0.295316 0.002121 0.741398 ] [ 0.074542 0.768213 0.080919 ] [ 0.683815 0.850819 0.751881 ] [ 0.724873 0.058193 0.919857 ] ] } "species" { "source-value" [ "Y" "Y" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.8580832 "source-unit" "angstrom" } "b" { "source-value" 7.7319399 "source-unit" "angstrom" } "c" { "source-value" 8.27153861 "source-unit" "angstrom" } "alpha" { "source-value" 72.90429145 "source-unit" "degree" } "beta" { "source-value" 72.44158185 "source-unit" "degree" } "gamma" { "source-value" 71.85166047 "source-unit" "degree" } }