{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.939169 0.25 0.280844 ] [ 0.560831 0.25 0.780844 ] [ 0.439169 0.75 0.219156 ] [ 0.060831 0.75 0.719156 ] [ 0.426014 0.25 0.098537 ] [ 0.073986 0.25 0.598537 ] [ 0.926014 0.75 0.401463 ] [ 0.573986 0.75 0.901463 ] [ 0.265626 0.038449 0.176999 ] [ 0.234374 0.038449 0.676999 ] [ 0.146783 0.25 0.435967 ] [ 0.761856 0.25 0.116633 ] [ 0.738144 0.25 0.616633 ] [ 0.353217 0.25 0.935967 ] [ 0.265626 0.461551 0.176999 ] [ 0.234374 0.461551 0.676999 ] [ 0.734374 0.538449 0.823001 ] [ 0.765626 0.538449 0.323001 ] [ 0.853217 0.75 0.564033 ] [ 0.646783 0.75 0.064033 ] [ 0.261856 0.75 0.383367 ] [ 0.238144 0.75 0.883367 ] [ 0.765626 0.961551 0.323001 ] [ 0.734374 0.961551 0.823001 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "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" 5.07527549 "source-unit" "angstrom" } "b" { "source-value" 6.14739555 "source-unit" "angstrom" } "c" { "source-value" 10.2884452 "source-unit" "angstrom" } }