{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.856760322340628e-09 -9.418567980012523e-09 2.397568392224746e-09 ] [ -2.735559566707161e-09 5.817874854883164e-09 9.218170291765452e-09 ] [ 1.038225622890999e-08 2.053426461695078e-10 -4.067805956529316e-09 ] [ -3.426261753157931e-09 -2.16346218961734e-09 -2.786008263272264e-09 ] [ 2.125257807441377e-09 3.185759020609644e-09 -1.068406673050618e-09 ] [ -1.353378410514559e-08 1.37129388540128e-08 -2.113908228586124e-08 ] [ 9.696216055990425e-09 2.77705353792095e-09 5.442482629582454e-09 ] [ -8.364885149889396e-09 -1.41169387439662e-08 1.20030821855761e-08 ] ] "source-value" [ [ 3.6555023 -5.8786078 1.4964445 ] [ -1.707402 3.6312319 5.7535294 ] [ 6.4800947 0.1281648 -2.5389248 ] [ -2.1385044 -1.3503269 -1.7388896 ] [ 1.3264816 1.9883944 -0.666847 ] [ -8.4471237 8.5589433 -13.1939775 ] [ 6.0519021 1.7333005 3.3969305 ] [ -5.2209507 -8.8111002 7.4917347 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.171685160568491e-18 "source-value" -26.037611 } }