{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.2584144 -7.0322867 -4.7987804 ] [ -6.889324 -1.5802263 6.896885 ] [ -9.9098545 4.8270515 -4.8927352 ] [ -1.426166 9.3537978 3.7276875 ] [ 4.1372413 -5.3102696 -7.7794711 ] [ 13.9827953 -5.6149244 10.7607156 ] [ 10.3637223 5.3568578 -3.9143015 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.643579171815806e-08 -1.126696534150278e-08 -7.688493765233272e-09 ] [ -1.103791384591634e-08 -2.531801633433287e-09 1.105002790334621e-08 ] [ -1.587733719542967e-08 7.733789060697571e-09 -7.839025949205213e-09 ] [ -2.284969822579853e-09 1.498643615085048e-08 5.9724137621484e-09 ] [ 6.6285912854682e-09 -8.507989803264967e-09 -1.246408671860926e-08 ] [ 2.240290772309212e-08 -8.996100601239466e-09 1.724056695739785e-08 ] [ 1.66045135735236e-08 8.582632328110122e-09 -6.271402350062371e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3574371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.583560469026552e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8566966 1.7773028 2.4889966 ] [ 2.2205096 2.1322504 4.8714289 ] [ 2.2090739 4.1528427 2.080366 ] [ 2.2555274 4.6322471 4.5542011 ] [ 4.2392318 1.3706675 2.184851 ] [ 4.6211705 1.3903201 4.6759517 ] [ 4.6078433 3.7448115 1.4236617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8566966e-10 1.7773028e-10 2.4889966e-10 ] [ 2.2205096e-10 2.1322504e-10 4.8714289e-10 ] [ 2.2090739e-10 4.1528427e-10 2.080366e-10 ] [ 2.2555274e-10 4.6322471e-10 4.5542011e-10 ] [ 4.2392318e-10 1.3706675e-10 2.184851e-10 ] [ 4.6211705e-10 1.3903201e-10 4.6759517e-10 ] [ 4.6078433e-10 3.7448115e-10 1.4236617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 1.58e-05 7e-07 ] [ 2.1e-06 1.7e-06 1.07e-05 ] [ -3.7e-06 -4.5e-06 1e-06 ] [ 1.2e-06 -8.5e-06 -8.1e-06 ] [ 1.19e-05 -3.6e-06 -1.6e-06 ] [ -9.6e-06 2.8e-06 -9e-06 ] [ -4.9e-06 -3.7e-06 6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 2.531439060864e-14 1.12152363456e-15 ] [ 3.36457090368e-15 2.72370025536e-15 1.714328984256e-14 ] [ -5.928053496960001e-15 -7.2097947936e-15 1.6021766208e-15 ] [ 1.92261194496e-15 -1.36185012768e-14 -1.297763062848e-14 ] [ 1.906590178752e-14 -5.76783583488e-15 -2.56348259328e-15 ] [ -1.538089555968e-14 4.48609453824e-15 -1.44195895872e-14 ] [ -7.850665441919999e-15 -5.928053496960001e-15 1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.894908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.347733309136689e-18 } }