{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.293199 0.315417 0.614222 ] [ 0.293199 0.184583 0.114222 ] [ 0.706801 0.815417 0.885778 ] [ 0.706801 0.684583 0.385778 ] [ 0.773903 0.005515 0.621921 ] [ 0.706885 0.003272 0.180883 ] [ 0.733623 0.320427 0.396524 ] [ 0.293115 0.503272 0.319117 ] [ 0.733623 0.179573 0.896524 ] [ 0.773903 0.494485 0.121921 ] [ 0.226097 0.505515 0.878079 ] [ 0.266377 0.820427 0.103476 ] [ 0.706885 0.496728 0.680883 ] [ 0.266377 0.679573 0.603476 ] [ 0.293115 0.996728 0.819117 ] [ 0.226097 0.994485 0.378079 ] [ 0.316978 0.994853 0.99709 ] [ 0.039797 0.00693 0.701241 ] [ 0.387851 0.157224 0.783187 ] [ 0.978366 0.306441 0.486639 ] [ 0.300291 0.154896 0.477626 ] [ 0.691351 0.165342 0.514771 ] [ 0.288653 0.996269 0.237549 ] [ 0.316978 0.505147 0.49709 ] [ 0.387851 0.342776 0.283187 ] [ 0.626549 0.169041 0.22905 ] [ 0.978366 0.193559 0.986639 ] [ 0.039797 0.49307 0.201241 ] [ 0.683022 0.005147 0.00291 ] [ 0.373451 0.669041 0.27095 ] [ 0.711347 0.496269 0.262451 ] [ 0.300291 0.345104 0.977626 ] [ 0.691351 0.334658 0.014771 ] [ 0.021634 0.806441 0.013361 ] [ 0.308649 0.665342 0.985229 ] [ 0.699709 0.654896 0.022374 ] [ 0.288653 0.503731 0.737549 ] [ 0.626549 0.330959 0.72905 ] [ 0.960203 0.50693 0.798759 ] [ 0.373451 0.830959 0.77095 ] [ 0.612149 0.657224 0.716813 ] [ 0.021634 0.693559 0.513361 ] [ 0.683022 0.494853 0.50291 ] [ 0.711347 0.003731 0.762451 ] [ 0.308649 0.834658 0.485229 ] [ 0.699709 0.845104 0.522374 ] [ 0.612149 0.842776 0.216813 ] [ 0.960203 0.99307 0.298759 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "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" 7.84791061 "source-unit" "angstrom" } "b" { "source-value" 8.68544589 "source-unit" "angstrom" } "c" { "source-value" 10.56447851 "source-unit" "angstrom" } "beta" { "source-value" 119.87950745 "source-unit" "degree" } }