{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5679801 0.7633564 0.9423091 ] [ 0.2455229 2.923672 2.888178 ] [ 2.982858 0.4812947 0.275924 ] [ 2.014612 0.8507009 1.879414 ] [ 2.889268 2.773535 0.4342581 ] [ 2.382569 2.78537 2.868502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.679801e-11 7.633564000000001e-11 9.423091e-11 ] [ 2.455229e-11 2.923672e-10 2.888178e-10 ] [ 2.982858e-10 4.812947e-11 2.75924e-11 ] [ 2.014612e-10 8.507009e-11 1.879414e-10 ] [ 2.889268e-10 2.773535e-10 4.342581e-11 ] [ 2.382569e-10 2.78537e-10 2.868502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -31.7209624 1.939909 -20.7693066 ] [ -4.1633973 1.6554977 0.4608522 ] [ 9.4761334 -6.2369559 -17.7063731 ] [ 21.6018897 -16.5791737 39.3868073 ] [ 2.4986544 9.0984418 -5.0891041 ] [ 2.3076822 10.1222811 3.7171243 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.082258434655587e-08 3.108076846279508e-09 -3.327609746474714e-08 ] [ -6.670497817161843e-09 2.652399710728172e-09 7.383666204842458e-10 ] [ 1.518243938906202e-08 -9.992704927940623e-09 -2.836873701998202e-08 ] [ 3.461004264244033e-08 -2.656276449432223e-08 6.310462182401477e-08 ] [ 4.003285663139051e-09 1.457731073766947e-08 -8.153643609837426e-09 ] [ 3.69731446907631e-09 1.621768212758571e-08 5.955489650067565e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.955731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.716607579677381e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1873945 0.313264 0.8996907 ] [ 0.5012319 2.9874153 2.8775993 ] [ 3.1371169 1.0162087 0.0255239 ] [ 1.5289993 0.0287125 2.4122606 ] [ 3.2082121 2.9455615 0.5034746 ] [ 2.5198553 3.2867671 2.5700362 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.873945e-11 3.13264e-11 8.996907e-11 ] [ 5.012319e-11 2.9874153e-10 2.8775993e-10 ] [ 3.1371169e-10 1.0162087e-10 2.55239e-12 ] [ 1.5289993e-10 2.87125e-12 2.4122606e-10 ] [ 3.2082121e-10 2.9455615e-10 5.034746e-11 ] [ 2.5198553e-10 3.2867671e-10 2.5700362e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3764049 -1.2353829 0.4390053 ] [ 0.6423768 0.23603 -0.7031241 ] [ -0.272657 1.0004799 0.4240575 ] [ -0.9343618 -0.8945139 -0.0652582 ] [ 0.3959169 0.7935164 0.1852439 ] [ 0.54513 0.0998705 -0.2799244 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.030671307345619e-10 -1.979301600116104e-09 7.033640280672902e-10 ] [ 1.029201090704317e-09 3.78161747807424e-10 -1.126528994541041e-09 ] [ -4.368446708974656e-10 1.602945505360322e-09 6.79415012374896e-10 ] [ -1.497012631328606e-09 -1.433169257560629e-09 -1.045551623554906e-10 ] [ 6.343288009596116e-10 1.271353424301381e-09 2.967934457258131e-10 ] [ 8.73394541296704e-10 1.600101802076064e-10 -4.484883292714675e-10 ] ] } "relaxed-potential-energy" { "source-value" -22.411802 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.590766519439869e-18 } }