{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0.216374 0.277249 0.182269 ] [ 0.783626 0.777249 0.182269 ] [ 0.283626 0.777249 0.317731 ] [ 0.716374 0.277249 0.317731 ] [ 0.283626 0.722751 0.682269 ] [ 0.716374 0.222751 0.682269 ] [ 0.216374 0.222751 0.817731 ] [ 0.783626 0.722751 0.817731 ] [ 0.252464 0.96236 0.113728 ] [ 0.747536 0.46236 0.113728 ] [ 0.752464 0.96236 0.386272 ] [ 0.247536 0.46236 0.386272 ] [ 0.247536 0.03764 0.613728 ] [ 0.752464 0.53764 0.613728 ] [ 0.252464 0.53764 0.886272 ] [ 0.747536 0.03764 0.886272 ] [ 0.455029 0.25 0 ] [ 0.544971 0.75 0 ] [ 0.102415 0.605696 0.146753 ] [ 0.897585 0.105696 0.146753 ] [ 0.397585 0.105696 0.353247 ] [ 0.602415 0.605696 0.353247 ] [ 0.044971 0.75 0.5 ] [ 0.955029 0.25 0.5 ] [ 0.397585 0.394304 0.646753 ] [ 0.602415 0.894304 0.646753 ] [ 0.102415 0.894304 0.853247 ] [ 0.897585 0.394304 0.853247 ] [ 0.13663 0.574933 0.03433 ] [ 0.86337 0.074933 0.03433 ] [ 0.545095 0.361348 0.057261 ] [ 0.454905 0.861348 0.057261 ] [ 0.352817 0.175683 0.080603 ] [ 0.647183 0.675683 0.080603 ] [ 0.066162 0.11333 0.162742 ] [ 0.933838 0.61333 0.162742 ] [ 0.168651 0.751079 0.181791 ] [ 0.831349 0.251079 0.181791 ] [ 0.834421 0.984495 0.216178 ] [ 0.165579 0.484495 0.216178 ] [ 0.334421 0.984495 0.283822 ] [ 0.665579 0.484495 0.283822 ] [ 0.668651 0.751079 0.318209 ] [ 0.331349 0.251079 0.318209 ] [ 0.433838 0.61333 0.337258 ] [ 0.566162 0.11333 0.337258 ] [ 0.147183 0.675683 0.419397 ] [ 0.852817 0.175683 0.419397 ] [ 0.045095 0.361348 0.442739 ] [ 0.954905 0.861348 0.442739 ] [ 0.63663 0.574933 0.46567 ] [ 0.36337 0.074933 0.46567 ] [ 0.36337 0.425067 0.53433 ] [ 0.63663 0.925067 0.53433 ] [ 0.045095 0.138652 0.557261 ] [ 0.954905 0.638652 0.557261 ] [ 0.147183 0.824317 0.580603 ] [ 0.852817 0.324317 0.580603 ] [ 0.433838 0.88667 0.662742 ] [ 0.566162 0.38667 0.662742 ] [ 0.331349 0.248921 0.681791 ] [ 0.668651 0.748921 0.681791 ] [ 0.334421 0.515505 0.716178 ] [ 0.665579 0.015505 0.716178 ] [ 0.165579 0.015505 0.783822 ] [ 0.834421 0.515505 0.783822 ] [ 0.168651 0.748921 0.818209 ] [ 0.831349 0.248921 0.818209 ] [ 0.066162 0.38667 0.837258 ] [ 0.933838 0.88667 0.837258 ] [ 0.352817 0.324317 0.919397 ] [ 0.647183 0.824317 0.919397 ] [ 0.454905 0.638652 0.942739 ] [ 0.545095 0.138652 0.942739 ] [ 0.13663 0.925067 0.96567 ] [ 0.86337 0.425067 0.96567 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" "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" 8.78853459 "source-unit" "angstrom" } "b" { "source-value" 8.98258137 "source-unit" "angstrom" } "c" { "source-value" 12.46125988 "source-unit" "angstrom" } }