{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.1940331 -17.2909503 -4.2400179 ] [ 13.7947943 -9.6587752 -5.6011163 ] [ 11.6196782 -42.6162108 15.2406823 ] [ 21.7083791 22.8036382 -13.0828433 ] [ -18.1239069 10.7673537 -34.6996006 ] [ 13.0619055 4.2553687 29.4205353 ] [ -15.8668172 31.7395757 12.9623605 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.196746743728135e-08 -2.770315632207475e-08 -6.793257551153513e-09 ] [ 2.21016969162051e-08 -1.547506381100284e-08 -8.973977586241799e-09 ] [ 1.861677675325942e-08 -6.827869661084446e-08 2.441826486610037e-08 ] [ 3.478065746948334e-08 3.65354559932218e-08 -2.096102566884992e-08 ] [ -2.903769991273581e-08 1.725120236602438e-08 -5.559488883241765e-08 ] [ 2.092747961519893e-08 6.817852244024089e-09 4.713689382908112e-08 ] [ -2.542144356434732e-08 5.08524061406518e-08 2.07679909434814e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.259369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.406126398476027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.537863 1.7764289 2.1928772 ] [ 6.1792467 2.1093897 2.0985819 ] [ 4.4420515 1.420025 3.5479101 ] [ 5.2156697 3.8741986 0.8482491 ] [ 3.0127977 4.0378413 1.6933472 ] [ 4.2363958 3.1828518 5.1111611 ] [ 3.2728846 4.9477196 3.8608563 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.537863e-10 1.7764289e-10 2.1928772e-10 ] [ 6.1792467e-10 2.1093897e-10 2.0985819e-10 ] [ 4.4420515e-10 1.420025e-10 3.5479101e-10 ] [ 5.2156697e-10 3.8741986e-10 8.482491e-11 ] [ 3.0127977e-10 4.0378413e-10 1.6933472e-10 ] [ 4.2363958e-10 3.1828518e-10 5.1111611e-10 ] [ 3.2728846e-10 4.9477196e-10 3.8608563e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.5e-06 3.01e-05 2.57e-05 ] [ 2.7e-06 -3.88e-05 -1.45e-05 ] [ 3.43e-05 -2.4e-05 6.9e-06 ] [ 2.1e-06 2.65e-05 2.1e-06 ] [ 1.2e-05 -5.7e-06 -2.87e-05 ] [ -1.61e-05 2.12e-05 -1.45e-05 ] [ -2.75e-05 -9.3e-06 2.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2016324656e-14 4.822551628608e-14 4.117593915456e-14 ] [ 4.32587687616e-15 -6.216445288704e-14 -2.32315610016e-14 ] [ 5.495465809344e-14 -3.84522388992e-14 1.105501868352e-14 ] [ 3.36457090368e-15 4.24576804512e-14 3.36457090368e-15 ] [ 1.92261194496e-14 -9.13240673856e-15 -4.598246901696e-14 ] [ -2.579504359488e-14 3.396614436096001e-14 -2.32315610016e-14 ] [ -4.4059857072e-14 -1.490024257344e-14 3.68500622784e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }