{ "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" [ [ 0.251183 0.616033 0.147668 ] [ 0.251183 0.883967 0.647668 ] [ 0.748817 0.116033 0.352332 ] [ 0.748817 0.383967 0.852332 ] [ 0.735551 0.75852 0.60743 ] [ 0 0 0 ] [ 0.735551 0.74148 0.10743 ] [ 0.264449 0.25852 0.89257 ] [ 0.264449 0.24148 0.39257 ] [ 0 0.5 0.5 ] [ 0.228085 0.013417 0.857976 ] [ 0.752642 0.506559 0.062982 ] [ 0.496354 0.276673 0.766106 ] [ 0.771915 0.513417 0.642024 ] [ 0.023208 0.764367 0.050527 ] [ 0.247358 0.006559 0.437018 ] [ 0.503646 0.723327 0.233894 ] [ 0.752642 0.993441 0.562982 ] [ 0.771915 0.986583 0.142024 ] [ 0.503646 0.776673 0.733894 ] [ 0.228085 0.486583 0.357976 ] [ 0.247358 0.493441 0.937018 ] [ 0.496354 0.223327 0.266106 ] [ 0.023208 0.735633 0.550527 ] [ 0.976792 0.264367 0.449473 ] [ 0.976792 0.235633 0.949473 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 6.29153146409 "source-unit" "angstrom" } "b" { "source-value" 8.03949043 "source-unit" "angstrom" } "c" { "source-value" 6.65809564027 "source-unit" "angstrom" } "beta" { "source-value" 108.915391091 "source-unit" "degree" } }