{ "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" [ [ 0.994431 0.398832 0.377165 ] [ 0.798399 0.328902 0.636863 ] [ 0.797808 0.324401 0.133684 ] [ 0.578784 0.029321 0.634714 ] [ 0.597056 0.033762 0.132452 ] [ 0.580251 0.511551 0.626958 ] [ 0.595875 0.514872 0.118417 ] [ 0.392172 0.223494 0.621094 ] [ 0.402756 0.220952 0.120365 ] [ 0.597244 0.779048 0.879635 ] [ 0.607828 0.776506 0.378906 ] [ 0.404125 0.485128 0.881583 ] [ 0.419749 0.488449 0.373042 ] [ 0.402944 0.966238 0.867548 ] [ 0.421216 0.970679 0.365286 ] [ 0.202192 0.675599 0.866316 ] [ 0.201601 0.671098 0.363137 ] [ 0.005569 0.601168 0.622835 ] [ 0.59052 0.273725 0.874661 ] [ 0.59787 0.277192 0.377769 ] [ 0.40213 0.722808 0.622231 ] [ 0.40948 0.726275 0.125339 ] [ 0.994111 0.092064 0.810513 ] [ 0.990788 0.061338 0.301692 ] [ 0.888436 0.028969 0.964463 ] [ 0.875133 0.056168 0.508087 ] [ 0.968859 0.461842 0.810557 ] [ 0.839643 0.209315 0.819116 ] [ 0.801505 0.158596 0.304666 ] [ 0.866183 0.406763 0.971577 ] [ 0.875932 0.588784 0.971355 ] [ 0.675492 0.120528 0.946387 ] [ 0.710949 0.155201 0.471397 ] [ 0.926834 0.725229 0.413559 ] [ 0.953532 0.794132 0.554782 ] [ 0.870881 0.687573 0.829803 ] [ 0.881242 0.610779 0.259642 ] [ 0.947817 0.745133 0.029417 ] [ 0.783022 0.507949 0.461443 ] [ 0.855221 0.763719 0.733212 ] [ 0.850808 0.733768 0.221776 ] [ 0.678975 0.465496 0.806658 ] [ 0.696642 0.461322 0.2865 ] [ 0.848255 0.945706 0.572222 ] [ 0.858952 0.941594 0.05488 ] [ 0.679967 0.720555 0.56168 ] [ 0.682011 0.721462 0.051933 ] [ 0.681088 0.882208 0.713967 ] [ 0.694767 0.873002 0.20507 ] [ 0.305233 0.126998 0.79493 ] [ 0.318912 0.117792 0.286033 ] [ 0.317989 0.278538 0.948067 ] [ 0.320033 0.279445 0.43832 ] [ 0.141048 0.058406 0.94512 ] [ 0.151745 0.054294 0.427778 ] [ 0.303358 0.538678 0.7135 ] [ 0.321025 0.534504 0.193342 ] [ 0.149192 0.266232 0.778224 ] [ 0.144779 0.236281 0.266788 ] [ 0.216978 0.492051 0.538557 ] [ 0.052183 0.254867 0.970583 ] [ 0.118758 0.389221 0.740358 ] [ 0.129119 0.312427 0.170197 ] [ 0.046468 0.205868 0.445218 ] [ 0.073166 0.27477 0.586441 ] [ 0.289051 0.844799 0.528603 ] [ 0.324508 0.879472 0.053613 ] [ 0.124068 0.411216 0.028645 ] [ 0.133817 0.593237 0.028423 ] [ 0.198495 0.841404 0.695334 ] [ 0.160357 0.790685 0.180884 ] [ 0.031141 0.538158 0.189443 ] [ 0.124867 0.943832 0.491913 ] [ 0.111564 0.971031 0.035537 ] [ 0.009212 0.938662 0.698308 ] [ 0.005889 0.907936 0.189487 ] [ 0.963307 0.527214 0.256115 ] [ 0.956194 0.671169 0.960811 ] [ 0.750261 0.209302 0.773357 ] [ 0.996334 0.74051 0.484434 ] [ 0.771019 0.221459 0.27883 ] [ 0.76987 0.431396 0.976793 ] [ 0.772671 0.433897 0.490645 ] [ 0.602057 0.163217 0.986442 ] [ 0.922425 0.860363 0.126471 ] [ 0.904199 0.87863 0.663525 ] [ 0.608069 0.168572 0.489066 ] [ 0.812462 0.67932 0.75555 ] [ 0.806152 0.673301 0.270814 ] [ 0.591944 0.388589 0.765112 ] [ 0.597176 0.387461 0.265678 ] [ 0.797952 0.972973 0.511835 ] [ 0.411613 0.125079 0.768384 ] [ 0.431136 0.127297 0.266051 ] [ 0.802897 0.977167 0.005057 ] [ 0.427114 0.334092 0.97901 ] [ 0.573428 0.666409 0.525132 ] [ 0.426572 0.333591 0.474868 ] [ 0.572886 0.665908 0.02099 ] [ 0.197103 0.022833 0.994943 ] [ 0.568864 0.872703 0.733949 ] [ 0.588387 0.874921 0.231616 ] [ 0.202048 0.027027 0.488165 ] [ 0.402824 0.612539 0.734322 ] [ 0.408056 0.611411 0.234888 ] [ 0.193848 0.326699 0.729186 ] [ 0.187538 0.32068 0.24445 ] [ 0.391931 0.831428 0.510934 ] [ 0.095801 0.12137 0.336475 ] [ 0.077575 0.139637 0.873529 ] [ 0.397943 0.836783 0.013558 ] [ 0.227329 0.566103 0.509355 ] [ 0.23013 0.568604 0.023207 ] [ 0.228981 0.778541 0.72117 ] [ 0.003666 0.25949 0.515566 ] [ 0.249739 0.790698 0.226643 ] [ 0.043806 0.328831 0.039189 ] [ 0.036693 0.472786 0.743885 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "Cr" "Cr" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" "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" 8.80562181 "source-unit" "angstrom" } "b" { "source-value" 11.50770186 "source-unit" "angstrom" } "c" { "source-value" 11.73026518 "source-unit" "angstrom" } "alpha" { "source-value" 105.29762818 "source-unit" "degree" } "beta" { "source-value" 87.69260184 "source-unit" "degree" } "gamma" { "source-value" 109.93074219 "source-unit" "degree" } }