{ "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" [ [ 2.488897 2.770028 3.014921 ] [ 0.2049674 2.791914 3.698619 ] [ 0.8141582 3.850123 1.870554 ] [ 0.3012674 5.24423 3.479153 ] [ 2.657762 5.04937 3.20133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.488897e-10 2.770028e-10 3.014921e-10 ] [ 2.049674e-11 2.791914e-10 3.698619e-10 ] [ 8.141582e-11 3.850123e-10 1.870554e-10 ] [ 3.012674e-11 5.244230000000001e-10 3.479153e-10 ] [ 2.657762e-10 5.04937e-10 3.20133e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.7958922 -4.1105702 0.8063424 ] [ -3.7707719 -4.4098739 4.4081649 ] [ -1.6858986 0.0934398 -9.2354816 ] [ -2.7858598 5.2105152 3.1307801 ] [ 3.4466382 3.2164892 0.8901942 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.683866358717078e-09 -6.58585947259718e-09 1.291902941639762e-09 ] [ -6.041442580549596e-09 -7.065396863256118e-09 7.06265874341117e-09 ] [ -2.701107321959451e-09 1.497070630122279e-10 -1.479687270134858e-08 ] [ -4.463439440386563e-09 8.348165635763036e-09 5.016062681085886e-09 ] [ 5.522123144396196e-09 5.153383797295695e-09 1.426248335211759e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4706535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.517365962139769e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5307524 2.6540182 3.1550506 ] [ 0.1517003 2.7808967 3.793501 ] [ 0.8820535 3.9103167 1.5261982 ] [ 0.2617468 5.243656 3.714138 ] [ 2.640799 5.1167775 3.0756892 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5307524e-10 2.6540182e-10 3.1550506e-10 ] [ 1.517003e-11 2.7808967e-10 3.793501e-10 ] [ 8.820535e-11 3.9103167e-10 1.5261982e-10 ] [ 2.617468e-11 5.243656e-10 3.714138e-10 ] [ 2.640799e-10 5.1167775e-10 3.0756892e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 -1.94e-05 5.2e-06 ] [ 1e-07 -1.35e-05 3.4e-06 ] [ -7.8e-06 -2.7e-06 -1.99e-05 ] [ -4.9e-06 1.73e-05 7e-06 ] [ 8.8e-06 1.83e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.08827115904e-15 -3.108222644352e-14 8.33131842816e-15 ] [ 1.6021766208e-16 -2.16293843808e-14 5.44740051072e-15 ] [ -1.249697764224e-14 -4.32587687616e-15 -3.188331475392e-14 ] [ -7.850665441919999e-15 2.771765553984e-14 1.12152363456e-14 ] [ 1.409915426304e-14 2.931983216064e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }