{ "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" [ [ 0.285539 0.714142 0.820825 ] [ 0.714461 0.285858 0.179175 ] [ 0 0 0 ] [ 0.699758 0.813817 0.257806 ] [ 0.300242 0.186183 0.742194 ] [ 0.146747 0.832255 0.36923 ] [ 0.853253 0.167745 0.63077 ] [ 0.316915 0.49761 0.311887 ] [ 0.683085 0.50239 0.688113 ] [ 0.453767 0.612513 0.183016 ] [ 0.546233 0.387487 0.816984 ] [ 0.206895 0.639794 0.389528 ] [ 0.793105 0.360206 0.610472 ] [ 0.877725 0.727493 0.813879 ] [ 0.122275 0.272507 0.186121 ] [ 0.884323 0.736106 0.351934 ] [ 0.115677 0.263894 0.648066 ] [ 0.739829 0.901883 0.083301 ] [ 0.5 0.5 0.5 ] [ 0.297768 0.009711 0.57768 ] [ 0.702232 0.990289 0.42232 ] [ 0.829428 0.087742 0.811399 ] [ 0.170572 0.912258 0.188601 ] [ 0.260171 0.098117 0.916699 ] ] } "species" { "source-value" [ "K" "K" "Ti" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.0298344 "source-unit" "angstrom" } "b" { "source-value" 7.34102704 "source-unit" "angstrom" } "c" { "source-value" 7.60844872 "source-unit" "angstrom" } "alpha" { "source-value" 99.11916345 "source-unit" "degree" } "beta" { "source-value" 105.95129308 "source-unit" "degree" } "gamma" { "source-value" 112.67380848 "source-unit" "degree" } }