{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3186586 1.3230243 0.7950541 ] [ -0.6802458 -0.6188213 -0.394004 ] [ -3.0169435 -0.4460276 -0.1056081 ] [ -0.5088816 -2.1702277 -0.8805188 ] [ 0.0659993 -0.3257412 0.0256044 ] [ 2.1190833 0.8917026 -0.929578 ] [ 0.7023297 1.3460909 1.4890504 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.112723979736859e-09 2.119718602210285e-09 1.273817091291185e-09 ] [ -1.089873917157393e-09 -9.914610193130631e-10 -6.312639973016833e-10 ] [ -4.833676341974525e-09 -7.146149929515342e-10 -1.692028287871085e-10 ] [ -8.153182022752974e-10 -3.477088082752556e-09 -1.410746635534871e-09 ] [ 1.057425354491654e-10 -5.21894935071337e-10 4.102277106961152e-11 ] [ 3.395145720787712e-09 1.428665058426574e-09 -1.489348138810023e-09 ] [ 1.125256225433478e-09 2.156675369451631e-09 2.385721738072888e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.090867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.097388105340223e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5235626 1.1242092 1.5860663 ] [ 1.2417735 2.178863 3.819818 ] [ 1.3273756 3.5015508 1.7163764 ] [ 3.7894124 1.3476747 1.7526234 ] [ 3.4992545 1.154451 4.0087752 ] [ 3.6006937 3.6345795 1.8779328 ] [ 3.3030797 3.5317925 4.1390449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5235626e-10 1.1242092e-10 1.5860663e-10 ] [ 1.2417735e-10 2.178863e-10 3.819818e-10 ] [ 1.3273756e-10 3.5015508e-10 1.7163764e-10 ] [ 3.7894124e-10 1.3476747e-10 1.7526234e-10 ] [ 3.4992545e-10 1.154451e-10 4.0087752e-10 ] [ 3.6006937e-10 3.6345795e-10 1.8779328e-10 ] [ 3.3030797e-10 3.5317925e-10 4.1390449e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -1.8e-05 2.6e-05 ] [ -3.5e-06 -2.43e-05 3e-06 ] [ 5.2e-06 5.2e-06 -2.9e-05 ] [ -9.5e-06 -4.4e-06 -1.99e-05 ] [ -1.88e-05 -2.22e-05 1.8e-06 ] [ 1.03e-05 3.59e-05 1.2e-06 ] [ 1.84e-05 2.79e-05 1.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 -2.88391791744e-14 4.16565921408e-14 ] [ -5.6076181728e-15 -3.893289188544e-14 4.8065298624e-15 ] [ 8.33131842816e-15 8.33131842816e-15 -4.64631220032e-14 ] [ -1.52206778976e-14 -7.04957713152e-15 -3.188331475392e-14 ] [ -3.012092047104e-14 -3.556832098176e-14 2.88391791744e-15 ] [ 1.650241919424e-14 5.751814068672e-14 1.92261194496e-15 ] [ 2.948004982272e-14 4.470072772032e-14 2.707678489152e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }