{ "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" [ [ 0.543509 0.778999 0.148213 ] [ 0.043509 0.278999 0.351787 ] [ 0.956491 0.778999 0.648213 ] [ 0.456491 0.278999 0.851787 ] [ 0.078961 0.000276 0.005566 ] [ 0.578961 0.500276 0.494434 ] [ 0.421039 0.000276 0.505566 ] [ 0.921039 0.500276 0.994434 ] [ 0.372984 0.00053 0.008431 ] [ 0.828752 0.192087 0.003582 ] [ 0.827093 0.807343 0.042984 ] [ 0.986373 0.473388 0.194253 ] [ 0.065751 0.041178 0.209485 ] [ 0.565751 0.541178 0.290515 ] [ 0.486373 0.973388 0.305747 ] [ 0.327093 0.307343 0.457016 ] [ 0.328752 0.692087 0.496418 ] [ 0.872984 0.50053 0.491569 ] [ 0.127016 0.00053 0.508431 ] [ 0.671248 0.192087 0.503582 ] [ 0.672907 0.807343 0.542984 ] [ 0.513627 0.473388 0.694253 ] [ 0.434249 0.041178 0.709485 ] [ 0.934249 0.541178 0.790515 ] [ 0.013627 0.973388 0.805747 ] [ 0.172907 0.307343 0.957016 ] [ 0.171248 0.692087 0.996418 ] [ 0.627016 0.50053 0.991569 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.24420095 "source-unit" "angstrom" } "b" { "source-value" 6.38413251 "source-unit" "angstrom" } "c" { "source-value" 9.04962324 "source-unit" "angstrom" } }