{ "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" [ [ 0.621867 0.857139 0.895403 ] [ 0.355488 0.6372 0.633064 ] [ 0.430939 0.144814 0.142326 ] [ 0.627496 0.360368 0.397209 ] [ 0.843466 0.111705 0.76199 ] [ 0.492445 0.39103 0.733934 ] [ 0.149861 0.879111 0.24009 ] [ 0.5237 0.615169 0.260376 ] [ 0.227882 0.032223 0.804198 ] [ 0.954555 0.463412 0.691317 ] [ 0.632602 0.984594 0.172847 ] [ 0.104605 0.532505 0.304031 ] [ 0.94358 0.804235 0.552945 ] [ 0.122059 0.758878 0.961604 ] [ 0.098834 0.26084 0.464155 ] [ 0.916124 0.303876 0.052101 ] [ 0.645075 0.879391 0.516338 ] [ 0.741567 0.581734 0.002849 ] [ 0.340072 0.082111 0.502607 ] [ 0.251554 0.372696 0.017238 ] [ 0.894402 0.886774 0.839215 ] [ 0.663044 0.660103 0.670232 ] [ 0.172026 0.145979 0.170425 ] [ 0.327193 0.386759 0.338947 ] [ 0.12574 0.2259 0.728071 ] [ 0.695042 0.289804 0.75744 ] [ 0.864054 0.793485 0.255737 ] [ 0.312235 0.72476 0.228487 ] [ 0.836776 0.537047 0.51503 ] [ 0.714026 0.03948 0.011755 ] [ 0.313047 0.718786 0.786294 ] [ 0.692072 0.212936 0.292782 ] [ 0.683762 0.124548 0.567745 ] [ 0.491044 0.348137 0.926228 ] [ 0.299724 0.85081 0.435456 ] [ 0.501427 0.620827 0.066344 ] [ 0.24865 0.971561 0.633448 ] [ 0.142012 0.520942 0.870126 ] [ 0.74386 0.021868 0.366 ] [ 0.855397 0.469216 0.133495 ] [ 0.787153 0.919352 0.818335 ] [ 0.550592 0.585783 0.690959 ] [ 0.237144 0.076166 0.189472 ] [ 0.447229 0.420408 0.317667 ] [ 0.061378 0.126341 0.758323 ] [ 0.690833 0.387892 0.729023 ] [ 0.946425 0.87572 0.222036 ] [ 0.313425 0.623904 0.256421 ] [ 0.086163 0.895547 0.869789 ] [ 0.909302 0.60227 0.593675 ] [ 0.772585 0.107856 0.087787 ] [ 0.17821 0.396779 0.371296 ] [ 0.780028 0.797107 0.606884 ] [ 0.902198 0.656379 0.94062 ] [ 0.189533 0.152802 0.439143 ] [ 0.121986 0.28836 0.106297 ] [ 0.645472 0.708796 0.970453 ] [ 0.445774 0.770785 0.545049 ] [ 0.377473 0.26626 0.046961 ] [ 0.530211 0.211646 0.471646 ] [ 0.429515 0.758991 0.76803 ] [ 0.598562 0.259453 0.270506 ] [ 0.72391 0.047854 0.614058 ] [ 0.563419 0.434495 0.887367 ] [ 0.26765 0.93327 0.392737 ] [ 0.431346 0.543338 0.112244 ] [ 0.14602 0.91538 0.67538 ] [ 0.097614 0.58595 0.808757 ] [ 0.774634 0.091691 0.30096 ] [ 0.943662 0.413656 0.17548 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.59768733683 "source-unit" "angstrom" } "b" { "source-value" 9.73262350571 "source-unit" "angstrom" } "c" { "source-value" 12.404291897 "source-unit" "angstrom" } "alpha" { "source-value" 83.2758920596 "source-unit" "degree" } "beta" { "source-value" 110.147131489 "source-unit" "degree" } "gamma" { "source-value" 115.905690525 "source-unit" "degree" } }