{ "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" [ [ 0.25 0.613172 0.903542 ] [ 0.25 0.906661 0.185506 ] [ 0.75 0.160332 0.238441 ] [ 0.25 0.113172 0.596458 ] [ 0.25 0.406661 0.314494 ] [ 0.75 0.660332 0.261559 ] [ 0.75 0.093339 0.814494 ] [ 0.25 0.125113 0.032216 ] [ 0.75 0.374887 0.532216 ] [ 0.75 0.886828 0.403542 ] [ 0.25 0.839668 0.761559 ] [ 0.25 0.339668 0.738441 ] [ 0.75 0.593339 0.685506 ] [ 0.75 0.874887 0.967784 ] [ 0.75 0.386828 0.096458 ] [ 0.25 0.625113 0.467784 ] [ 0.25 0.649414 0.096686 ] [ 0.25 0.149414 0.403314 ] [ 0.75 0.850586 0.596686 ] [ 0.75 0.350586 0.903314 ] [ 0.25 0.555399 0.127904 ] [ 0.75 0.014213 0.120688 ] [ 0.75 0.514213 0.379312 ] [ 0.75 0.944601 0.627904 ] [ 0.25 0.485787 0.620688 ] [ 0.25 0.780285 0.330769 ] [ 0.25 0.055399 0.372096 ] [ 0.75 0.258123 0.93691 ] [ 0.25 0.241877 0.43691 ] [ 0.25 0.741877 0.06309 ] [ 0.75 0.219715 0.669231 ] [ 0.25 0.985787 0.879312 ] [ 0.75 0.758123 0.56309 ] [ 0.75 0.719715 0.830769 ] [ 0.75 0.444601 0.872096 ] [ 0.25 0.280285 0.169231 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.8390922 "source-unit" "angstrom" } "b" { "source-value" 12.35934442 "source-unit" "angstrom" } "c" { "source-value" 14.55628075 "source-unit" "angstrom" } }