{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.767391 -2.683424 0.4258801 ] [ 1.2472183 -0.5652455 -0.8369081 ] [ -3.428722 2.9825694 1.1932781 ] [ -1.6186301 1.7347906 0.5750978 ] [ 0.7290981 3.7914868 2.3542445 ] [ 0.520456 -1.0014106 -4.6406387 ] [ 3.3179707 -4.2587667 0.9290463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.229495919212333e-09 -4.29931919649362e-09 6.823351394839661e-10 ] [ 1.998264001293921e-09 -9.056231251124063e-10 -1.340874591578149e-09 ] [ -5.493418227622618e-09 4.778602962593483e-09 1.911842273932644e-09 ] [ -2.593331303943166e-09 2.779440941303605e-09 9.214082498335143e-10 ] [ 1.1681439300897e-09 6.074631509031805e-09 3.771915497546986e-09 ] [ 8.338624353550849e-10 -1.604436651141301e-09 -7.435122830719706e-09 ] [ 5.315975084039411e-09 -6.823296440181567e-09 1.488496261500743e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.154901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549606441833854e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7102344 2.0473454 3.5587899 ] [ 1.8073836 3.2053253 1.5384087 ] [ 2.7535567 4.9264361 3.1660778 ] [ 0.736194 3.6183694 3.8607546 ] [ 5.0451705 1.505822 2.7156192 ] [ 4.2206308 3.6002987 1.6216957 ] [ 4.5669232 3.6101931 4.1488941 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7102344e-10 2.0473454e-10 3.5587899e-10 ] [ 1.8073836e-10 3.2053253e-10 1.5384087e-10 ] [ 2.7535567e-10 4.9264361e-10 3.1660778e-10 ] [ 7.36194e-11 3.6183694e-10 3.8607546e-10 ] [ 5.0451705e-10 1.505822e-10 2.7156192e-10 ] [ 4.220630800000001e-10 3.6002987e-10 1.6216957e-10 ] [ 4.5669232e-10 3.6101931e-10 4.1488941e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 -3.06e-05 1.63e-05 ] [ -1.86e-05 4.47e-05 -8.41e-05 ] [ -5e-06 7.34e-05 1.34e-05 ] [ -3.58e-05 -4.99e-05 5.99e-05 ] [ 5e-07 -3.09e-05 3.73e-05 ] [ 3.04e-05 -2.4e-05 -4.4e-05 ] [ 1.96e-05 1.75e-05 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.425937192512e-14 -4.902660459647999e-14 2.611547891904e-14 ] [ -2.980048514688e-14 7.161729494976001e-14 -1.3474305380928e-13 ] [ -8.010883104e-15 1.1759976396672e-13 2.146916671872e-14 ] [ -5.735792302464001e-14 -7.994861337792e-14 9.597037958592001e-14 ] [ 8.010883104e-16 -4.950725758272e-14 5.976118795584e-14 ] [ 4.870616927232e-14 -3.84522388992e-14 -7.04957713152e-14 ] [ 3.140266176767999e-14 2.8038090864e-14 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.75494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.966178611730676e-18 } }