{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.0748472 -15.2764517 -14.9711573 ] [ -32.9008128 10.3566398 -1.5387159 ] [ -15.2402997 14.5560122 8.0231228 ] [ 32.1962694 -12.8964689 3.9005435 ] [ 5.8699958 3.2602687 4.5862069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.614168464197234e-08 -2.447557376252042e-08 -2.398643821237925e-08 ] [ -5.271291307347739e-08 1.659316615760679e-08 -2.465294641033231e-09 ] [ -2.441765187332525e-08 2.332130243891957e-08 1.285445977596743e-08 ] [ 5.158411010965844e-08 -2.066242096245429e-08 6.249359604113404e-09 ] [ 9.404770034954193e-09 5.22352628866601e-09 7.347913473331643e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.60247561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.652723369442188e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.2917039 -0.1580255 1.7543914 ] [ 0.4254274 2.6259205 0.142043 ] [ -0.0749289 1.7572349 2.2654856 ] [ 2.4537853 1.4764073 0.4219795 ] [ 2.2723283 1.8261949 2.7972378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2917039e-10 -1.580255e-11 1.7543914e-10 ] [ 4.254274e-11 2.6259205e-10 1.42043e-11 ] [ -7.49289e-12 1.7572349e-10 2.2654856e-10 ] [ 2.4537853e-10 1.4764073e-10 4.219795e-11 ] [ 2.2723283e-10 1.8261949e-10 2.7972378e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.94e-05 2.58e-05 2.26e-05 ] [ 1.86e-05 1e-05 2.06e-05 ] [ -3e-06 -9.5e-06 2.1e-06 ] [ -7e-07 -9.2e-06 -5.6e-06 ] [ -3.43e-05 -1.71e-05 -3.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.108222644352e-14 4.133615681664e-14 3.620919163008e-14 ] [ 2.980048514688e-14 1.6021766208e-14 3.300483838848e-14 ] [ -4.8065298624e-15 -1.52206778976e-14 3.36457090368e-15 ] [ -1.12152363456e-15 -1.474002491136e-14 -8.972189076479999e-15 ] [ -5.495465809344e-14 -2.739722021568e-14 -6.376662950784e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.214602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.277430299837692e-18 } }