{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.66571 0.89437 ] [ 0 0.000595 0.995244 ] [ 0 0.999405 0.495244 ] [ 0 0.33429 0.39437 ] [ 0.5 0.16571 0.89437 ] [ 0.5 0.500595 0.995244 ] [ 0.5 0.499405 0.495244 ] [ 0.5 0.83429 0.39437 ] [ 0.254004 0.087876 0.215673 ] [ 0.745996 0.087876 0.215673 ] [ 0 0.828483 0.211252 ] [ 0 0.171517 0.711252 ] [ 0.254004 0.912124 0.715673 ] [ 0.745996 0.912124 0.715673 ] [ 0.754004 0.587876 0.215673 ] [ 0.245996 0.587876 0.215673 ] [ 0.5 0.328483 0.211252 ] [ 0.5 0.671517 0.711252 ] [ 0.754004 0.412124 0.715673 ] [ 0.245996 0.412124 0.715673 ] [ 0 0.662308 0.492591 ] [ 0 0.337692 0.992591 ] [ 0.5 0.162308 0.492591 ] [ 0.5 0.837692 0.992591 ] [ 0.246486 0.07783 0.604177 ] [ 0 0.518843 0.336538 ] [ 0 0.65612 0.099533 ] [ 0 0.004314 0.310178 ] [ 0 0.995686 0.810178 ] [ 0.753514 0.07783 0.604177 ] [ 0.773668 0.73492 0.337289 ] [ 0.226332 0.73492 0.337289 ] [ 0 0.165563 0.101601 ] [ 0 0.834437 0.601601 ] [ 0.773668 0.26508 0.837289 ] [ 0.226332 0.26508 0.837289 ] [ 0 0.34388 0.599533 ] [ 0.246486 0.92217 0.104177 ] [ 0 0.481157 0.836538 ] [ 0.753514 0.92217 0.104177 ] [ 0.746486 0.57783 0.604177 ] [ 0.5 0.018843 0.336538 ] [ 0.5 0.15612 0.099533 ] [ 0.5 0.504314 0.310178 ] [ 0.5 0.495686 0.810178 ] [ 0.253514 0.57783 0.604177 ] [ 0.273668 0.23492 0.337289 ] [ 0.726332 0.23492 0.337289 ] [ 0.5 0.665563 0.101601 ] [ 0.5 0.334437 0.601601 ] [ 0.273668 0.76508 0.837289 ] [ 0.726332 0.76508 0.837289 ] [ 0.5 0.84388 0.599533 ] [ 0.746486 0.42217 0.104177 ] [ 0.5 0.981157 0.836538 ] [ 0.253514 0.42217 0.104177 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Fe" "Fe" "Fe" "Fe" "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" 5.95473121 "source-unit" "angstrom" } "b" { "source-value" 10.19323042 "source-unit" "angstrom" } "c" { "source-value" 9.63341534 "source-unit" "angstrom" } }