{ "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" [ [ 0.247497 0.242004 0.240885 ] [ 0.492193 0.006113 0.254542 ] [ 0.981605 0.506574 0.248217 ] [ 0.515547 0.010057 0.755344 ] [ 0.994978 0.491117 0.750633 ] [ 0.240682 0.245289 0.753203 ] [ 0.760284 0.764028 0.754141 ] [ 0.469948 0.70119 0.930346 ] [ 0.935843 0.181466 0.35139 ] [ 0.451164 0.690949 0.349911 ] [ 0.557144 0.307499 0.649421 ] [ 0.059679 0.808354 0.644876 ] [ 0.191443 0.94422 0.421066 ] [ 0.688512 0.433636 0.420497 ] [ 0.312622 0.564901 0.576571 ] [ 0.809416 0.057287 0.579954 ] [ 0.767788 0.020952 0.070278 ] [ 0.27717 0.530573 0.07427 ] [ 0.72159 0.472834 0.924416 ] [ 0.224317 0.971999 0.924722 ] [ 0.295923 0.040515 0.065168 ] [ 0.799577 0.548623 0.061913 ] [ 0.422356 0.675269 0.145871 ] [ 0.917502 0.161696 0.146193 ] [ 0.698724 0.963532 0.150774 ] [ 0.221728 0.473984 0.162641 ] [ 0.271542 0.841139 0.326171 ] [ 0.087479 0.03216 0.334923 ] [ 0.774287 0.327123 0.331346 ] [ 0.573603 0.503047 0.324994 ] [ 0.167363 0.420343 0.425968 ] [ 0.559848 0.300923 0.457629 ] [ 0.067235 0.811951 0.459481 ] [ 0.660468 0.916944 0.428729 ] [ 0.339009 0.090346 0.574992 ] [ 0.447671 0.696639 0.543865 ] [ 0.943156 0.190341 0.546133 ] [ 0.834077 0.582262 0.571706 ] [ 0.236738 0.674225 0.67527 ] [ 0.418177 0.490602 0.677095 ] [ 0.736553 0.16717 0.678116 ] [ 0.917445 0.974909 0.669481 ] [ 0.769679 0.523997 0.827553 ] [ 0.28271 0.030129 0.837693 ] [ 0.572683 0.32849 0.852566 ] [ 0.077954 0.825566 0.848379 ] [ 0.69802 0.946932 0.927013 ] [ 0.207235 0.460367 0.932093 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "C" "C" "C" "C" "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" 8.48874676 "source-unit" "angstrom" } "b" { "source-value" 8.5469501 "source-unit" "angstrom" } "c" { "source-value" 10.2352899 "source-unit" "angstrom" } "alpha" { "source-value" 107.73680993 "source-unit" "degree" } "beta" { "source-value" 107.40331726 "source-unit" "degree" } "gamma" { "source-value" 104.30705036 "source-unit" "degree" } }