{ "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" [ [ 0.562131 0.034243 0.092766 ] [ 0.315886 0.40748 0.217881 ] [ 0.191742 0.342778 0.032977 ] [ 0.956423 0.720475 0.155082 ] [ 0.063793 0.777522 0.343781 ] [ 0.700357 0.090115 0.279193 ] [ 0.812291 0.152918 0.469141 ] [ 0.443809 0.473848 0.406592 ] [ 0.561676 0.527639 0.594309 ] [ 0.18838 0.847113 0.530523 ] [ 0.311634 0.902793 0.719299 ] [ 0.938413 0.222024 0.655599 ] [ 0.060458 0.2775 0.844501 ] [ 0.688128 0.59719 0.780615 ] [ 0.793064 0.638598 0.968852 ] [ 0.432036 0.968851 0.905991 ] [ 0.867911 0.682959 0.06439 ] [ 0.597194 0.04916 0.190735 ] [ 0.518019 0.008936 0.999199 ] [ 0.287808 0.397974 0.122874 ] [ 0.011846 0.754679 0.24687 ] [ 0.752651 0.124805 0.374885 ] [ 0.500542 0.500208 0.500159 ] [ 0.363542 0.430353 0.314105 ] [ 0.250029 0.874954 0.624966 ] [ 0.125545 0.812421 0.437258 ] [ 0.874975 0.187603 0.562458 ] [ 0.000013 0.250003 0.750042 ] [ 0.748167 0.624282 0.874785 ] [ 0.625045 0.56253 0.687486 ] [ 0.374855 0.93753 0.812522 ] [ 0.116771 0.306982 0.937187 ] [ 0.669063 0.308245 0.035696 ] [ 0.101581 0.561558 0.095207 ] [ 0.398315 0.680429 0.162665 ] [ 0.645128 0.783287 0.025525 ] [ 0.855993 0.951383 0.220756 ] [ 0.623345 0.580019 0.103029 ] [ 0.148537 0.050046 0.29127 ] [ 0.095712 0.081168 0.08431 ] [ 0.355835 0.157302 0.155149 ] [ 0.626982 0.348638 0.344525 ] [ 0.365302 0.953319 0.230752 ] [ 0.914813 0.42099 0.416137 ] [ 0.849425 0.450445 0.207942 ] [ 0.390603 0.92662 0.397856 ] [ 0.116127 0.535521 0.28248 ] [ 0.372636 0.726506 0.470861 ] [ 0.118168 0.327416 0.353899 ] [ 0.667554 0.795119 0.541076 ] [ 0.595969 0.827042 0.333389 ] [ 0.138547 0.300446 0.523164 ] [ 0.877904 0.89919 0.404607 ] [ 0.122264 0.102306 0.596053 ] [ 0.861048 0.699406 0.476961 ] [ 0.417771 0.170083 0.665996 ] [ 0.332782 0.203736 0.459361 ] [ 0.888587 0.675235 0.648158 ] [ 0.6275 0.27277 0.529169 ] [ 0.872299 0.477343 0.721051 ] [ 0.611383 0.074785 0.601896 ] [ 0.166859 0.544298 0.791091 ] [ 0.082282 0.580083 0.584043 ] [ 0.638431 0.050405 0.773164 ] [ 0.377564 0.647915 0.654048 ] [ 0.621244 0.8519 0.845843 ] [ 0.361266 0.449897 0.726856 ] [ 0.908993 0.913265 0.915689 ] [ 0.832149 0.955071 0.709025 ] [ 0.388912 0.427078 0.899011 ] [ 0.127451 0.022518 0.778971 ] [ 0.359174 0.214578 0.969717 ] [ 0.111757 0.826243 0.851882 ] [ 0.58015 0.330577 0.834 ] [ 0.874806 0.394389 0.903095 ] [ 0.863112 0.205831 0.975354 ] [ 0.315172 0.702447 0.960182 ] ] } "species" { "source-value" [ "Sr" "Sr" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Mg" "Mg" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "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" "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" 5.53838783 "source-unit" "angstrom" } "b" { "source-value" 5.56924686 "source-unit" "angstrom" } "c" { "source-value" 36.60898418 "source-unit" "angstrom" } "alpha" { "source-value" 90.71844683 "source-unit" "degree" } "beta" { "source-value" 93.50014147 "source-unit" "degree" } "gamma" { "source-value" 119.44364071 "source-unit" "degree" } }