{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.2460794 -12.4840076 -9.316231 ] [ -22.8045988 10.3567672 20.5793668 ] [ 15.6226677 -4.0166623 -32.7492574 ] [ 13.7909062 -16.2170941 23.6125219 ] [ 15.6371043 22.3609968 -2.1264002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.564214831914049e-08 -2.000158511060952e-08 -1.49262475021722e-08 ] [ -3.653699504408374e-08 1.659337027490828e-08 3.297178035782771e-08 ] [ 2.503027294346731e-08 -6.435402430708756e-09 -5.247009455484139e-08 ] [ 2.209546749328577e-08 -2.598264902433362e-08 3.7831430546308e-08 ] [ 2.505340292647115e-08 3.582626629074361e-08 -3.406868686904444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.231981 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.119997060506981e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4282151 0.4246754 0.683512 ] [ 1.1092423 1.7010802 2.6457724 ] [ 2.066605 1.6241106 -0.6657 ] [ 2.2250045 0.2831012 4.1540288 ] [ 2.7470393 2.9011261 1.2963344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.282151000000001e-11 4.246754e-11 6.835120000000001e-11 ] [ 1.1092423e-10 1.7010802e-10 2.6457724e-10 ] [ 2.066605e-10 1.6241106e-10 -6.657e-11 ] [ 2.2250045e-10 2.831012e-11 4.1540288e-10 ] [ 2.7470393e-10 2.9011261e-10 1.2963344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 5.6e-06 6e-06 ] [ 2.9e-06 -4.9e-06 -5.2e-06 ] [ -1.2e-06 -5e-07 2.5e-06 ] [ -2.3e-06 5.8e-06 -7.3e-06 ] [ -4.1e-06 -6e-06 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.53023011776e-15 8.972189076479999e-15 9.6130597248e-15 ] [ 4.646312200320001e-15 -7.850665441919999e-15 -8.33131842816e-15 ] [ -1.92261194496e-15 -8.010883104e-16 4.005441552e-15 ] [ -3.68500622784e-15 9.292624400640001e-15 -1.169588933184e-14 ] [ -6.568924145279999e-15 -9.6130597248e-15 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }