{ "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" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9424529 -0.7184647 1.0667828 ] [ -34.9680671 12.5444467 10.4760508 ] [ 5.4432481 -26.1734962 -9.4188251 ] [ 1.3704054 0.006944 0.1116612 ] [ 20.2284507 11.0354697 -16.7014859 ] [ 9.8684158 3.3051004 14.4658162 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.11215262338516e-09 -1.151107345210086e-09 1.709174461631562e-09 ] [ -5.602501958218566e-08 2.009841922361171e-08 1.678448367007314e-08 ] [ 8.72104484703402e-09 -4.193456369623764e-08 -1.509062137062422e-08 ] [ 2.195631492898072e-09 1.11255144548352e-11 1.78900964090473e-10 ] [ 3.24095507865454e-08 1.768077155288679e-08 -2.675873024160085e-08 ] [ 1.581094507909333e-08 5.295354590276729e-09 2.31767925164299e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.2420888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.194398877917527e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5998429 0.4387032 2.5893524 ] [ 0.8602917 2.6629324 1.433125 ] [ 2.0593535 0.3699615 0.4907213 ] [ 3.083344 0.2796063 2.8986909 ] [ 3.2276711 2.6029909 0.4682093 ] [ 2.985427 2.7838044 2.9576693 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.998429e-11 4.387032e-11 2.5893524e-10 ] [ 8.602917e-11 2.6629324e-10 1.433125e-10 ] [ 2.0593535e-10 3.699615e-11 4.907213000000001e-11 ] [ 3.083344e-10 2.796063e-11 2.8986909e-10 ] [ 3.2276711e-10 2.6029909e-10 4.682093e-11 ] [ 2.985427e-10 2.7838044e-10 2.9576693e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.03e-05 -5.6e-06 -2.9e-06 ] [ -3e-06 -6.3e-06 5.9e-06 ] [ -5.8e-06 2.4e-06 -6.9e-06 ] [ 5.4e-06 -7e-07 3.1e-06 ] [ 8.4e-06 -3.5e-06 2.2e-06 ] [ 5.3e-06 1.36e-05 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.650241919424e-14 -8.972189076479999e-15 -4.646312200320001e-15 ] [ -4.8065298624e-15 -1.009371271104e-14 9.45284206272e-15 ] [ -9.292624400640001e-15 3.84522388992e-15 -1.105501868352e-14 ] [ 8.65175375232e-15 -1.12152363456e-15 4.96674752448e-15 ] [ 1.345828361472e-14 -5.6076181728e-15 3.52478856576e-15 ] [ 8.491536090240001e-15 2.178960204288e-14 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.824633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.535385702534017e-18 } }