{ "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" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.3481795 -23.503259 15.1819149 ] [ -36.718231 -40.4749662 -33.9481947 ] [ 2.6915167 50.5642079 39.3145185 ] [ 7.7061854 -13.8144579 -5.1105945 ] [ 2.6725488 8.6944082 -23.0464672 ] [ 18.2998006 18.534067 7.608823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.568728158741834e-09 -3.765637208240719e-08 2.432410911175517e-08 ] [ -5.882909126533381e-08 -6.484804457331021e-08 -5.439100386670647e-08 ] [ 4.312285131232767e-09 8.101279174665067e-08 6.298880239870908e-08 ] [ 1.23466700834303e-08 -2.213320147640587e-08 -8.188075026289066e-09 ] [ 4.281895205307094e-09 1.392997754973181e-08 -3.692451093987404e-08 ] [ 2.931951268662182e-08 2.969484883574079e-08 1.219067832240532e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 28.283112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.531454080986793e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.228661 -0.603203 2.0918178 ] [ 0.0655901 1.447207 1.5635872 ] [ 0.7338637 3.1760179 3.1129624 ] [ 3.071981 0.0231948 0.6667006 ] [ 1.9765127 2.096578 0.0862089 ] [ 2.5771857 3.8024188 1.6878452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.228661e-10 -6.032030000000001e-11 2.0918178e-10 ] [ 6.55901e-12 1.447207e-10 1.5635872e-10 ] [ 7.338637e-11 3.1760179e-10 3.1129624e-10 ] [ 3.071981e-10 2.31948e-12 6.667006e-11 ] [ 1.9765127e-10 2.096578e-10 8.62089e-12 ] [ 2.5771857e-10 3.8024188e-10 1.6878452e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.1e-06 -5.1e-06 1.06e-05 ] [ 1.1e-06 -7.1e-06 -3.6e-06 ] [ 7.7e-06 -3.3e-06 -8.7e-06 ] [ 2.8e-06 7.1e-06 1.7e-06 ] [ -6.5e-06 1e-05 -5.8e-06 ] [ 2.9e-06 -1.6e-06 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.297763062848e-14 -8.17110076608e-15 1.698307218048e-14 ] [ 1.76239428288e-15 -1.137545400768e-14 -5.76783583488e-15 ] [ 1.233675998016e-14 -5.28718284864e-15 -1.393893660096e-14 ] [ 4.48609453824e-15 1.137545400768e-14 2.72370025536e-15 ] [ -1.04141480352e-14 1.6021766208e-14 -9.292624400640001e-15 ] [ 4.646312200320001e-15 -2.56348259328e-15 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9523637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.434326782103859e-18 } }