{ "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" [ [ 0.529734 0.750519 0.504284 ] [ 0.470266 0.249481 0.495716 ] [ 0.763076 0.929777 0.204712 ] [ 0.236924 0.070223 0.795288 ] [ 0.759601 0.423967 0.197501 ] [ 0.240399 0.576033 0.802499 ] [ 0.057999 0.723093 0.394829 ] [ 0.942001 0.276907 0.605171 ] [ 0.270165 0.953874 0.184084 ] [ 0.729835 0.046126 0.815916 ] [ 0.270562 0.387426 0.184808 ] [ 0.729438 0.612574 0.815192 ] [ 0.093273 0.511572 0.270453 ] [ 0.906727 0.488428 0.729547 ] [ 0.093797 0.870562 0.268603 ] [ 0.906203 0.129438 0.731397 ] [ 0.228759 0.179538 0.221355 ] [ 0.771241 0.820462 0.778645 ] [ 0.831252 0.725512 0.399267 ] [ 0.168748 0.274488 0.600733 ] [ 0.263095 0.868127 0.979591 ] [ 0.736905 0.131873 0.020409 ] [ 0.26718 0.371903 0.981936 ] [ 0.73282 0.628097 0.018064 ] [ 0.534276 0.536343 0.69625 ] [ 0.465724 0.463657 0.30375 ] [ 0.534186 0.063847 0.698932 ] [ 0.465814 0.936153 0.301068 ] [ 0.798356 0.231253 0.431063 ] [ 0.201644 0.768747 0.568937 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.15107932246 "source-unit" "angstrom" } "b" { "source-value" 7.39278433137 "source-unit" "angstrom" } "c" { "source-value" 8.02477390547 "source-unit" "angstrom" } "alpha" { "source-value" 103.45248333 "source-unit" "degree" } "beta" { "source-value" 95.519965343 "source-unit" "degree" } "gamma" { "source-value" 90.0805093078 "source-unit" "degree" } }