{ "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" [ [ 0.18522 0.99932 0.411025 ] [ 0.68522 0.00068 0.088975 ] [ 0.81478 0.00068 0.588975 ] [ 0.68522 0.49932 0.088975 ] [ 0.31478 0.50068 0.911025 ] [ 0.81478 0.49932 0.588975 ] [ 0.18522 0.50068 0.411025 ] [ 0.31478 0.99932 0.911025 ] [ 0.826507 0.75 0.834016 ] [ 0.673493 0.75 0.334016 ] [ 0.173493 0.25 0.165984 ] [ 0.326507 0.25 0.665984 ] [ 0.314919 0.75 0.66124 ] [ 0.185081 0.75 0.16124 ] [ 0.814919 0.25 0.83876 ] [ 0.685081 0.25 0.33876 ] [ 0.720782 0.966889 0.906779 ] [ 0.779218 0.966889 0.406779 ] [ 0.160412 0.75 0.832064 ] [ 0.784563 0.75 0.188369 ] [ 0.715437 0.75 0.688369 ] [ 0.339588 0.75 0.332064 ] [ 0.720782 0.533111 0.906779 ] [ 0.779218 0.533111 0.406779 ] [ 0.279218 0.466889 0.093221 ] [ 0.220782 0.466889 0.593221 ] [ 0.284563 0.25 0.311631 ] [ 0.660412 0.25 0.667936 ] [ 0.839588 0.25 0.167936 ] [ 0.215437 0.25 0.811631 ] [ 0.279218 0.033111 0.093221 ] [ 0.220782 0.033111 0.593221 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "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" 4.91930362 "source-unit" "angstrom" } "b" { "source-value" 6.27495511 "source-unit" "angstrom" } "c" { "source-value" 10.70880831 "source-unit" "angstrom" } }