{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.937195 0.75 0.204534 ] [ 0.062805 0.25 0.795466 ] [ 0.437195 0.25 0.295466 ] [ 0.562805 0.75 0.704534 ] [ 0.216999 0.25 0.092786 ] [ 0.283001 0.25 0.592786 ] [ 0.716999 0.75 0.407214 ] [ 0.783001 0.75 0.907214 ] [ 0.211376 0.75 0.484315 ] [ 0.288624 0.75 0.984315 ] [ 0.788624 0.25 0.515685 ] [ 0.711376 0.25 0.015685 ] [ 0.392408 0.490949 0.115113 ] [ 0.150882 0.25 0.983114 ] [ 0.107592 0.490949 0.615113 ] [ 0.452574 0.75 0.347224 ] [ 0.607592 0.990949 0.884887 ] [ 0.392408 0.009051 0.115113 ] [ 0.107592 0.009051 0.615113 ] [ 0.349118 0.25 0.483114 ] [ 0.849118 0.75 0.016886 ] [ 0.047426 0.75 0.847224 ] [ 0.547426 0.25 0.652776 ] [ 0.892408 0.509051 0.384887 ] [ 0.952574 0.25 0.152776 ] [ 0.607592 0.509051 0.884887 ] [ 0.892408 0.990949 0.384887 ] [ 0.650882 0.75 0.516886 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "P" "P" "P" "P" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.50971156 "source-unit" "angstrom" } "b" { "source-value" 6.89285271 "source-unit" "angstrom" } "c" { "source-value" 18.41195995 "source-unit" "angstrom" } }