{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.8492117 -5.2950947 -1.0557587 ] [ -7.3560758 2.589621 -11.2244086 ] [ -7.2943629 -2.022736 6.7493069 ] [ 6.2201745 0.444354 0.9528814 ] [ 4.221745 -0.8819241 -0.4382295 ] [ 1.3353397 0.1020211 0.1953744 ] [ 9.7223911 5.0637587 4.8208341 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.097364694705942e-08 -8.483677003157239e-09 -1.691511920282215e-09 ] [ -1.178573276469286e-08 4.149030257115714e-09 -1.798348518938865e-08 ] [ -1.168685779829648e-08 -3.240780355950624e-09 1.081358181087497e-08 ] [ 9.965818243302632e-09 7.119335960244359e-10 1.526684314053207e-09 ] [ 6.763981193706329e-09 -1.412998185981479e-09 -7.02121065229503e-10 ] [ 2.13945006579257e-09 1.634558225949774e-10 3.130242985617695e-10 ] [ 1.557698784702956e-08 8.113035869354215e-09 7.723827751410418e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.65871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.707713611058214e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8832847 1.5751234 2.6275847 ] [ 1.8124516 4.0674313 2.3746106 ] [ 1.6882261 3.0010142 4.6792661 ] [ 4.3107558 1.7156906 2.8238909 ] [ 4.1135191 2.5405872 5.1110162 ] [ 4.2832445 3.9974426 1.9616694 ] [ 3.4442912 4.7738967 4.191812 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8832847e-10 1.5751234e-10 2.6275847e-10 ] [ 1.8124516e-10 4.0674313e-10 2.3746106e-10 ] [ 1.6882261e-10 3.0010142e-10 4.679266100000001e-10 ] [ 4.3107558e-10 1.7156906e-10 2.8238909e-10 ] [ 4.113519100000001e-10 2.5405872e-10 5.1110162e-10 ] [ 4.2832445e-10 3.9974426e-10 1.9616694e-10 ] [ 3.4442912e-10 4.7738967e-10 4.191812e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0011123 0.0024332 0.0014256 ] [ -0.0020626 -0.0014206 -6.06e-05 ] [ 0.0004944 -0.000621 -0.0009015 ] [ -0.0012333 0.0010563 -0.0001071 ] [ -0.0003595 -2.12e-05 -0.0003961 ] [ 0.0027515 -0.0012522 -0.0019418 ] [ -0.0007027 -0.0001745 0.0019815 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.7821010699982e-12 3.898416185848799e-12 2.2840630094304e-12 ] [ -3.304649525288399e-12 -2.2760521262604e-12 -9.709190402039998e-14 ] [ 7.921161278495999e-13 -9.949516897139999e-13 -1.444362235551e-12 ] [ -1.9759644427122e-12 1.6923791784942e-12 -1.715931175014e-13 ] [ -5.75982499923e-13 -3.39661446408e-14 -6.346221647273999e-13 ] [ 4.408389008451e-12 -2.0062455810948e-12 -3.1111065879012e-12 ] [ -1.1258495207118e-12 -2.79579822633e-13 3.174713000271e-12 ] ] } "relaxed-potential-energy" { "source-value" -17.297181 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.771313923226875e-18 } }