{ "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" [ [ -0.854204 -0.3638632 -0.6081725 ] [ -0.4316802 0.6618777 0.1432598 ] [ -1.0788644 -0.2632369 2.1870586 ] [ 0.8010598 -0.3828311 -2.027135 ] [ 1.5636888 0.3480534 0.3049892 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.368585678193843e-09 -5.829731122094745e-10 -9.74399760913488e-10 ] [ -6.916279241022682e-10 1.060444976768876e-09 2.295275022604838e-10 ] [ -1.72853131869342e-09 -4.217520069118675e-10 3.504054157239578e-09 ] [ 1.283439283422724e-09 -6.133630381351468e-10 -3.247828304205408e-09 ] [ 2.505305637566807e-09 5.576430202699508e-10 4.886465658364954e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.069471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.09396008824236e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6003507 5.2111088 4.4570916 ] [ 2.0458544 3.4394842 2.998619 ] [ 3.1067662 2.9185035 5.1387419 ] [ 4.2958059 2.7247532 3.0113794 ] [ 4.8503008 4.4963783 4.4698651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6003507e-10 5.2111088e-10 4.4570916e-10 ] [ 2.0458544e-10 3.4394842e-10 2.998619e-10 ] [ 3.1067662e-10 2.9185035e-10 5.138741900000001e-10 ] [ 4.295805900000001e-10 2.7247532e-10 3.0113794e-10 ] [ 4.850300800000001e-10 4.4963783e-10 4.4698651e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.9e-06 2.3e-06 2.39e-05 ] [ -4.62e-05 -2.93e-05 -2.16e-05 ] [ -1.61e-05 2.24e-05 -1.5e-05 ] [ 1.41e-05 -1.18e-05 -6.6e-06 ] [ 5.51e-05 1.63e-05 1.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.105501868352e-14 3.68500622784e-15 3.829202123712e-14 ] [ -7.402055988096e-14 -4.694377498944e-14 -3.460701500928e-14 ] [ -2.579504359488e-14 3.588875630592e-14 -2.4032649312e-14 ] [ 2.259069035328e-14 -1.890568412544e-14 -1.057436569728e-14 ] [ 8.827993180608e-14 2.611547891904e-14 3.092200878144e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }