{ "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" [ [ 0.817566 0.998444 0.587679 ] [ 0.182434 0.001556 0.412321 ] [ 0.682434 0.998444 0.087679 ] [ 0.817566 0.501556 0.587679 ] [ 0.682434 0.501556 0.087679 ] [ 0.317566 0.498444 0.912321 ] [ 0.182434 0.498444 0.412321 ] [ 0.317566 0.001556 0.912321 ] [ 0.67835 0.75 0.33107 ] [ 0.82165 0.75 0.83107 ] [ 0.17835 0.25 0.16893 ] [ 0.32165 0.25 0.66893 ] [ 0.173514 0.75 0.163283 ] [ 0.326486 0.75 0.663283 ] [ 0.826486 0.25 0.836717 ] [ 0.673514 0.25 0.336717 ] [ 0.281958 0.968691 0.091548 ] [ 0.218042 0.968691 0.591548 ] [ 0.84449 0.75 0.164797 ] [ 0.219703 0.75 0.807174 ] [ 0.280297 0.75 0.307174 ] [ 0.65551 0.75 0.664797 ] [ 0.281958 0.531309 0.091548 ] [ 0.218042 0.531309 0.591548 ] [ 0.718042 0.468691 0.908452 ] [ 0.781958 0.468691 0.408452 ] [ 0.719703 0.25 0.692826 ] [ 0.34449 0.25 0.335203 ] [ 0.780297 0.25 0.192826 ] [ 0.15551 0.25 0.835203 ] [ 0.718042 0.031309 0.908452 ] [ 0.781958 0.031309 0.408452 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "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" 5.01983239 "source-unit" "angstrom" } "b" { "source-value" 6.18596385 "source-unit" "angstrom" } "c" { "source-value" 10.91608878 "source-unit" "angstrom" } }