{ "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" [ [ 0.205047 0.997468 0.667344 ] [ 0.294953 0.997468 0.167344 ] [ 0.205047 0.502532 0.667344 ] [ 0.294953 0.502532 0.167344 ] [ 0.705047 0.497468 0.832656 ] [ 0.794953 0.497468 0.332656 ] [ 0.794953 0.002532 0.332656 ] [ 0.705047 0.002532 0.832656 ] [ 0.791521 0.25 0.579051 ] [ 0.708479 0.25 0.079051 ] [ 0.291521 0.75 0.920949 ] [ 0.208479 0.75 0.420949 ] [ 0.19312 0.25 0.910493 ] [ 0.30688 0.25 0.410493 ] [ 0.69312 0.75 0.589507 ] [ 0.80688 0.75 0.089507 ] [ 0.303304 0.040472 0.839282 ] [ 0.196696 0.040472 0.339282 ] [ 0.869108 0.25 0.906331 ] [ 0.21289 0.25 0.555086 ] [ 0.28711 0.25 0.055086 ] [ 0.630892 0.25 0.406331 ] [ 0.303304 0.459528 0.839282 ] [ 0.196696 0.459528 0.339282 ] [ 0.803304 0.540472 0.660718 ] [ 0.696696 0.540472 0.160718 ] [ 0.71289 0.75 0.944914 ] [ 0.369108 0.75 0.593669 ] [ 0.78711 0.75 0.444914 ] [ 0.130892 0.75 0.093669 ] [ 0.803304 0.959528 0.660718 ] [ 0.696696 0.959528 0.160718 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "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" 5.10751875 "source-unit" "angstrom" } "b" { "source-value" 6.41698687 "source-unit" "angstrom" } "c" { "source-value" 10.97865083 "source-unit" "angstrom" } }