{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0384041 6.7382307 5.6149718 ] [ -8.4558802 -7.1511157 8.4939645 ] [ -3.6044668 -9.8351682 -6.3821613 ] [ 8.2931665 -2.5576302 4.5134591 ] [ 0.1036429 2.7456263 -4.6190753 ] [ 3.0370648 1.5879065 0.9229018 ] [ 5.8903492 7.0892312 -7.6425158 ] [ 0.7745277 1.3829194 -0.9015449 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.674589875962867e-09 1.079583569309682e-08 8.996176544411292e-09 ] [ -1.354781356472563e-08 -1.145735038717583e-08 1.360883133980516e-08 ] [ -5.77499243740979e-09 -1.575767655167562e-08 -1.022534962503454e-08 ] [ 1.328711747870176e-08 -4.097775311092029e-09 7.23135864895701e-09 ] [ 1.660542312919123e-10 4.398978267313607e-09 -7.400574455374747e-09 ] [ 4.865914218414628e-09 2.544106670316355e-09 1.478651687254238e-09 ] [ 9.437379776587984e-09 1.135820048808593e-08 -1.224466013885461e-08 ] [ 1.240930173101996e-09 2.215681131130764e-09 -1.444434161381474e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.081969 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.698139109383036e-18 } }