{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.30292 0.682653 0.187592 ] [ 0.80292 0.182653 0.312408 ] [ 0.30292 0.817347 0.687592 ] [ 0.80292 0.317347 0.812408 ] [ 0.812464 0.871658 0.12258 ] [ 0.312464 0.371658 0.37742 ] [ 0.812464 0.628342 0.62258 ] [ 0.312464 0.128342 0.87742 ] [ 0.304586 0.083943 0.169662 ] [ 0.804586 0.583943 0.330338 ] [ 0.304586 0.416057 0.669662 ] [ 0.804586 0.916057 0.830338 ] [ 0.635925 0.443865 0.002438 ] [ 0.849773 0.31766 0.040512 ] [ 0.349773 0.81766 0.459488 ] [ 0.135925 0.943865 0.497562 ] [ 0.635925 0.056135 0.502438 ] [ 0.849773 0.18234 0.540512 ] [ 0.349773 0.68234 0.959488 ] [ 0.135925 0.556135 0.997562 ] [ 0.313012 0.595064 0.017526 ] [ 0.352718 0.173436 0.049543 ] [ 0.426403 0.908907 0.166423 ] [ 0.004745 0.067511 0.193372 ] [ 0.931183 0.683443 0.226943 ] [ 0.431183 0.183443 0.273057 ] [ 0.504745 0.567511 0.306628 ] [ 0.926403 0.408907 0.333577 ] [ 0.852718 0.673436 0.450457 ] [ 0.813012 0.095064 0.482474 ] [ 0.313012 0.904936 0.517526 ] [ 0.352718 0.326564 0.549543 ] [ 0.426403 0.591093 0.666423 ] [ 0.004745 0.432489 0.693372 ] [ 0.931183 0.816557 0.726943 ] [ 0.431183 0.316557 0.773057 ] [ 0.504745 0.932489 0.806628 ] [ 0.926403 0.091093 0.833577 ] [ 0.852718 0.826564 0.950457 ] [ 0.813012 0.404936 0.982474 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.1147992 "source-unit" "angstrom" } "b" { "source-value" 8.16108591 "source-unit" "angstrom" } "c" { "source-value" 11.1511925 "source-unit" "angstrom" } }