{ "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" [ [ 1.691051 2.220945 1.919277 ] [ 2.666072 2.808957 4.219459 ] [ 1.090931 4.286689 3.184511 ] [ 3.947256 1.730986 2.765408 ] [ 5.245402 2.932614 3.956238 ] [ 3.932067 4.011287 2.276365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.691051e-10 2.220945e-10 1.919277e-10 ] [ 2.666072e-10 2.808957e-10 4.219459e-10 ] [ 1.090931e-10 4.286689e-10 3.184511e-10 ] [ 3.947256e-10 1.730986e-10 2.765408e-10 ] [ 5.245402000000001e-10 2.932614e-10 3.956238e-10 ] [ 3.932067e-10 4.011287e-10 2.276365e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.872367 5.411967 0.1293246 ] [ -4.0106249 1.1050021 4.5580613 ] [ 1.013908 -0.2043895 -1.0684513 ] [ 0.186117 -8.2653942 -3.9788705 ] [ 6.9080119 1.1987129 4.6969084 ] [ -8.9697789 0.7541016 -4.3369725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.806392559672677e-09 8.670927071379076e-09 2.072008523213964e-10 ] [ -6.425729502518586e-09 1.770408545140931e-09 7.302819311199664e-09 ] [ 1.624459706625672e-09 -3.27468081134943e-10 -1.711847707426924e-09 ] [ 2.98192308590178e-10 -1.324262145803912e-08 -6.374853344811896e-09 ] [ 1.106785525357394e-08 1.920549799254378e-09 7.525276890518325e-09 ] [ -1.437117016572622e-08 1.208203963182014e-09 -6.948596001800565e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.49737 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.643170073645258e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7535462 2.2479309 1.9761406 ] [ 2.6790146 2.702644 4.3144948 ] [ 1.2889737 4.4897218 3.1317388 ] [ 4.0347127 1.4550173 2.5434147 ] [ 5.1875369 3.134578 4.1012833 ] [ 3.6289948 3.9615861 2.2541857 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7535462e-10 2.2479309e-10 1.9761406e-10 ] [ 2.6790146e-10 2.702644e-10 4.314494800000001e-10 ] [ 1.2889737e-10 4.4897218e-10 3.1317388e-10 ] [ 4.0347127e-10 1.4550173e-10 2.5434147e-10 ] [ 5.1875369e-10 3.134578e-10 4.101283300000001e-10 ] [ 3.6289948e-10 3.9615861e-10 2.2541857e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.17e-05 1.36e-05 -5.41e-05 ] [ -5.54e-05 -8.1e-06 7.03e-05 ] [ -2.77e-05 -5.4e-06 2.3e-05 ] [ -7.2e-06 -4.8e-05 3.18e-05 ] [ 5.55e-05 -1.5e-06 -2.61e-05 ] [ 3.1e-06 4.94e-05 -4.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.078899929779999e-14 2.17896022224e-14 -8.66777558994e-14 ] [ -8.876058552359998e-14 -1.29776307354e-14 1.126330173702e-13 ] [ -4.438029276179999e-14 -8.6517538236e-15 3.6850062582e-14 ] [ -1.15356717648e-14 -7.690447843199999e-14 5.09492169612e-14 ] [ 8.892080318699998e-14 -2.403264951e-15 -4.18168101474e-14 ] [ 4.9667475654e-15 7.91475257196e-14 -7.193773086659999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.607709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.30171898400715e-18 } }