{ "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" [ [ 2.487281 5.921696 4.58109 ] [ 2.384555 3.657598 3.132891 ] [ 3.419185 2.494172 4.950415 ] [ 4.429689 2.154563 3.12196 ] [ 4.178368 4.562199 4.289341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.487281e-10 5.921696e-10 4.58109e-10 ] [ 2.384555e-10 3.657598e-10 3.132891e-10 ] [ 3.419185e-10 2.494172e-10 4.950414999999999e-10 ] [ 4.429689e-10 2.154563e-10 3.12196e-10 ] [ 4.178368e-10 4.562199e-10 4.289341000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7722831 3.445783 0.9925392 ] [ -9.2487818 1.1422177 -6.9786954 ] [ -2.141772 -5.6061197 9.9692407 ] [ 5.9823646 -6.9894454 -7.0990972 ] [ 8.1804722 8.0075644 3.1160127 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.441687169058948e-09 5.520752962950086e-09 1.590223101467536e-09 ] [ -1.481818197084054e-08 1.830034494803948e-09 -1.118110261356451e-08 ] [ -3.431497025484057e-09 -8.98199391674631e-09 1.597248437666783e-08 ] [ 9.584804699221544e-09 -1.119832601223811e-08 -1.137400756262674e-08 ] [ 1.310656130594434e-08 1.282953247123038e-08 4.992402698055885e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5096229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.225212379004297e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6571915 5.622777 3.9600521 ] [ 2.1389912 3.8942846 2.4517348 ] [ 4.5931589 2.5213287 5.0155251 ] [ 3.3356592 1.9775482 3.1039196 ] [ 4.1740772 4.7742895 5.5444653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6571915e-10 5.622777e-10 3.9600521e-10 ] [ 2.1389912e-10 3.8942846e-10 2.4517348e-10 ] [ 4.5931589e-10 2.521328700000001e-10 5.0155251e-10 ] [ 3.3356592e-10 1.9775482e-10 3.1039196e-10 ] [ 4.1740772e-10 4.774289500000001e-10 5.5444653e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 3e-06 -1.6e-06 ] [ 4e-07 2.7e-06 -7.4e-06 ] [ 1.17e-05 3.5e-06 -4.9e-06 ] [ -8.3e-06 -7e-06 4.9e-06 ] [ -4.8e-06 -2.1e-06 8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 4.8065298624e-15 -2.56348259328e-15 ] [ 6.408706483200001e-16 4.32587687616e-15 -1.185610699392e-14 ] [ 1.874546646336e-14 5.6076181728e-15 -7.850665441919999e-15 ] [ -1.329806595264e-14 -1.12152363456e-14 7.850665441919999e-15 ] [ -7.69044777984e-15 -3.36457090368e-15 1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.57084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853852933101747e-18 } }