{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.378808 0.368605 ] [ 0.75 0.621192 0.631395 ] [ 0.75 0.878808 0.131395 ] [ 0.25 0.121192 0.868605 ] [ 0.25 0.702905 0.473163 ] [ 0.75 0.297095 0.526837 ] [ 0.75 0.202905 0.026837 ] [ 0.25 0.797095 0.973163 ] [ 0.25 0.168826 0.206878 ] [ 0.75 0.831174 0.793122 ] [ 0.75 0.668826 0.293122 ] [ 0.25 0.331174 0.706878 ] [ 0.25 0.498797 0.095516 ] [ 0.75 0.501203 0.904484 ] [ 0.75 0.998797 0.404484 ] [ 0.25 0.001203 0.595516 ] [ 0.25 0.492216 0.267383 ] [ 0.75 0.507784 0.732617 ] [ 0.75 0.992216 0.232617 ] [ 0.25 0.007784 0.767383 ] [ 0.25 0.685224 0.870306 ] [ 0.75 0.314776 0.129694 ] [ 0.75 0.185224 0.629694 ] [ 0.25 0.814776 0.370306 ] [ 0.25 0.748665 0.168803 ] [ 0.75 0.251335 0.831197 ] [ 0.75 0.248665 0.331197 ] [ 0.25 0.751335 0.668803 ] [ 0.25 0.138357 0.479603 ] [ 0.75 0.861643 0.520397 ] [ 0.75 0.638357 0.020397 ] [ 0.25 0.361643 0.979603 ] [ 0.25 0.068062 0.076423 ] [ 0.75 0.931937 0.923577 ] [ 0.75 0.568063 0.423577 ] [ 0.25 0.431937 0.576423 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "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" 4.0070361 "source-unit" "angstrom" } "b" { "source-value" 11.37815609 "source-unit" "angstrom" } "c" { "source-value" 20.45866725 "source-unit" "angstrom" } }