{ "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" [ [ 0.254937 0.082839 0.121803 ] [ 0.998634 0.259788 0.374222 ] [ 0.002127 0.26151 0.873995 ] [ 0.501325 0.261738 0.874671 ] [ 0.502846 0.740918 0.125607 ] [ 0.995774 0.740023 0.125744 ] [ 0.501716 0.737652 0.623266 ] [ 0.999519 0.737535 0.622681 ] [ 0.254612 0.087196 0.622306 ] [ 0.48009 0.273223 0.382659 ] [ 0.742062 0.908522 0.37767 ] [ 0.750116 0.910483 0.872557 ] [ 0.747079 0.353515 0.111829 ] [ 0.747445 0.347128 0.605674 ] [ 0.249369 0.647676 0.385692 ] [ 0.25124 0.649721 0.890142 ] [ 0.252467 0.409529 0.149191 ] [ 0.250199 0.406267 0.643004 ] [ 0.743696 0.592437 0.351602 ] [ 0.751663 0.591914 0.852061 ] [ 0.748595 0.052957 0.138189 ] [ 0.749616 0.050034 0.636978 ] [ 0.258849 0.954487 0.372776 ] [ 0.250562 0.942722 0.858555 ] [ 0.27524 0.097707 0.351943 ] [ 0.248813 0.086883 0.841805 ] [ 0.749899 0.090124 0.015807 ] [ 0.750466 0.091195 0.515616 ] [ 0.744396 0.158467 0.230285 ] [ 0.74638 0.153638 0.731122 ] [ 0.064659 0.314013 0.110505 ] [ 0.434408 0.31588 0.102614 ] [ 0.062541 0.308166 0.606318 ] [ 0.429827 0.305393 0.598757 ] [ 0.263805 0.429603 0.302414 ] [ 0.729463 0.433952 0.413885 ] [ 0.256246 0.434584 0.794509 ] [ 0.754565 0.438537 0.920816 ] [ 0.248138 0.568304 0.088697 ] [ 0.744466 0.567787 0.199781 ] [ 0.251091 0.561165 0.576164 ] [ 0.750996 0.561435 0.701205 ] [ 0.567259 0.697748 0.391252 ] [ 0.932623 0.684713 0.394572 ] [ 0.567648 0.690615 0.891107 ] [ 0.935852 0.693316 0.891103 ] [ 0.248727 0.856262 0.273541 ] [ 0.251447 0.849148 0.758001 ] [ 0.251166 0.90432 0.490763 ] [ 0.251939 0.886374 0.975706 ] [ 0.751755 0.912048 0.171478 ] [ 0.751642 0.908808 0.667362 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 6.73550664 "source-unit" "angstrom" } "b" { "source-value" 8.81609086 "source-unit" "angstrom" } "c" { "source-value" 10.22201861 "source-unit" "angstrom" } "alpha" { "source-value" 91.77112043 "source-unit" "degree" } "beta" { "source-value" 90.37089791 "source-unit" "degree" } "gamma" { "source-value" 90.37559388 "source-unit" "degree" } }