{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.755056 0.492443 0.146372 ] [ 0.255056 0.992443 0.353628 ] [ 0.755056 0.007557 0.646372 ] [ 0.255056 0.507557 0.853628 ] [ 0.752969 0.993125 0.163052 ] [ 0.252969 0.493125 0.336948 ] [ 0.752969 0.506875 0.663052 ] [ 0.252969 0.006875 0.836948 ] [ 0.250123 0.238759 0.096524 ] [ 0.750123 0.738759 0.403476 ] [ 0.250123 0.261241 0.596524 ] [ 0.750123 0.761241 0.903476 ] [ 0.810423 0.759322 0.0525 ] [ 0.945908 0.239669 0.122758 ] [ 0.372294 0.42817 0.155731 ] [ 0.367377 0.054223 0.164998 ] [ 0.867377 0.554223 0.335002 ] [ 0.872294 0.92817 0.344269 ] [ 0.445908 0.739669 0.377242 ] [ 0.310423 0.259322 0.4475 ] [ 0.810423 0.740678 0.5525 ] [ 0.945908 0.260331 0.622758 ] [ 0.372294 0.07183 0.655731 ] [ 0.367377 0.445777 0.664998 ] [ 0.867377 0.945777 0.835002 ] [ 0.872294 0.57183 0.844269 ] [ 0.445908 0.760331 0.877242 ] [ 0.310423 0.240678 0.9475 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "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" 5.04508415 "source-unit" "angstrom" } "b" { "source-value" 6.83051204 "source-unit" "angstrom" } "c" { "source-value" 10.20263294 "source-unit" "angstrom" } }