{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.744311 0.191203 0.060751 ] [ 0.255689 0.808797 0.939249 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.104175 0.75 ] [ 0.5 0.400547 0.75 ] [ 0.744311 0.808797 0.560751 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.895825 0.25 ] [ 0.5 0.599453 0.25 ] [ 0.255689 0.191203 0.439249 ] [ 0.71244 0.998116 0.854759 ] [ 0.211166 0.498061 0.85577 ] [ 0.28756 0.998116 0.645241 ] [ 0.788834 0.498061 0.64423 ] [ 0.211166 0.501939 0.35577 ] [ 0.71244 0.001884 0.354759 ] [ 0.788834 0.501939 0.14423 ] [ 0.28756 0.001884 0.145241 ] [ 0.160409 0.63997 0.107166 ] [ 0 0.200509 0.25 ] [ 0.658719 0.142762 0.604769 ] [ 0.341281 0.857238 0.395231 ] [ 0 0.799491 0.75 ] [ 0.839591 0.36003 0.892834 ] [ 0.160409 0.36003 0.607166 ] [ 0.341281 0.142762 0.895231 ] [ 0.5 0.293804 0.25 ] [ 0.658719 0.857238 0.104769 ] [ 0.839591 0.63997 0.392834 ] [ 0.5 0.706196 0.75 ] [ 0.065564 0.091956 0.161256 ] [ 0.335033 0.316763 0.917397 ] [ 0.376167 0.806383 0.691741 ] [ 0.623833 0.806383 0.808259 ] [ 0.431446 0.598638 0.838062 ] [ 0.065564 0.908044 0.661256 ] [ 0.128215 0.704758 0.810064 ] [ 0.004368 0.428336 0.887191 ] [ 0.995632 0.571664 0.112809 ] [ 0.871785 0.295242 0.189936 ] [ 0.934436 0.091956 0.338744 ] [ 0.568554 0.401362 0.161938 ] [ 0.376167 0.193617 0.191741 ] [ 0.623833 0.193617 0.308259 ] [ 0.664967 0.683237 0.082603 ] [ 0.744891 0.953107 0.017573 ] [ 0.255699 0.588535 0.007988 ] [ 0.255109 0.046893 0.982427 ] [ 0.744891 0.046893 0.517573 ] [ 0.741285 0.596752 0.289527 ] [ 0.482514 0.897443 0.10818 ] [ 0.748456 0.901707 0.211587 ] [ 0.431446 0.401362 0.338062 ] [ 0.995632 0.428336 0.612809 ] [ 0.258715 0.596752 0.210473 ] [ 0.128215 0.295242 0.310064 ] [ 0.85974 0.816604 0.407891 ] [ 0.748456 0.098293 0.711587 ] [ 0.482514 0.102557 0.60818 ] [ 0.744301 0.588535 0.492012 ] [ 0.664967 0.316763 0.582603 ] [ 0.14026 0.816604 0.092109 ] [ 0.85974 0.183396 0.907891 ] [ 0.335033 0.683237 0.417397 ] [ 0.255699 0.411465 0.507988 ] [ 0.517486 0.897443 0.39182 ] [ 0.251544 0.901707 0.288413 ] [ 0.14026 0.183396 0.592109 ] [ 0.871785 0.704758 0.689936 ] [ 0.741285 0.403248 0.789527 ] [ 0.744301 0.411465 0.992012 ] [ 0.568554 0.598638 0.661938 ] [ 0.251544 0.098293 0.788413 ] [ 0.517486 0.102557 0.89182 ] [ 0.258715 0.403248 0.710473 ] [ 0.255109 0.953107 0.482427 ] [ 0.934436 0.908044 0.838744 ] [ 0.004368 0.571664 0.387191 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 8.49230750515 "source-unit" "angstrom" } "b" { "source-value" 8.76116041009 "source-unit" "angstrom" } "c" { "source-value" 12.3333062211 "source-unit" "angstrom" } "beta" { "source-value" 91.971640367 "source-unit" "degree" } }