{ "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" [ [ 0.133438 0.933119 0.697088 ] [ 0.391596 0.841748 0.138475 ] [ 0.596369 0.654617 0.435989 ] [ 0.1107 0.421391 0.204112 ] [ 0.854768 0.554194 0.793332 ] [ 0.345254 0.288189 0.563484 ] [ 0.647558 0.229227 0.939771 ] [ 0.851271 0.067084 0.281724 ] [ 0.196472 0.855088 0.372609 ] [ 0.981357 0.01011 0.976953 ] [ 0.496898 0.747746 0.779302 ] [ 0.754514 0.636541 0.123368 ] [ 0.2352 0.343063 0.872861 ] [ 0.003301 0.481545 0.518258 ] [ 0.487624 0.241628 0.238958 ] [ 0.741312 0.137986 0.617515 ] [ 0.097436 0.833372 0.92247 ] [ 0.316205 0.835567 0.607787 ] [ 0.977451 0.879027 0.163554 ] [ 0.659515 0.792077 0.259161 ] [ 0.311829 0.693826 0.295987 ] [ 0.911548 0.664244 0.587818 ] [ 0.619296 0.642338 0.671222 ] [ 0.274895 0.505996 0.684545 ] [ 0.986408 0.61939 0.325387 ] [ 0.424732 0.398153 0.369561 ] [ 0.073427 0.324144 0.396968 ] [ 0.868652 0.480716 0.015313 ] [ 0.558136 0.407955 0.107144 ] [ 0.217789 0.216071 0.077818 ] [ 0.967016 0.372483 0.698031 ] [ 0.637065 0.291702 0.707982 ] [ 0.341907 0.19134 0.781086 ] [ 0.006277 0.104803 0.784783 ] [ 0.753835 0.27538 0.407727 ] [ 0.402274 0.030788 0.337867 ] [ 0.107683 0.022051 0.469698 ] [ 0.903381 0.168837 0.094573 ] [ 0.548909 0.073256 0.113361 ] [ 0.706702 0.983108 0.816256 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 8.5155345 "source-unit" "angstrom" } "b" { "source-value" 8.57633724 "source-unit" "angstrom" } "c" { "source-value" 9.89737409 "source-unit" "angstrom" } "alpha" { "source-value" 94.52343084 "source-unit" "degree" } "beta" { "source-value" 113.33685778 "source-unit" "degree" } "gamma" { "source-value" 102.8450627 "source-unit" "degree" } }