{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2610621 -3.6011138 2.5419608 ] [ 0.8852145 3.0749423 -2.5908867 ] [ -4.7506418 2.4306228 0.935238 ] [ 1.5209248 0.9787048 1.3129186 ] [ 3.6055646 -2.8831562 -2.1992306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.020444213996952e-09 -5.769620339200247e-09 4.072670164750065e-09 ] [ 1.418269976293162e-09 4.92660066336898e-09 -4.151058097881664e-09 ] [ -7.61136722575523e-09 3.894287024143435e-09 1.49841645848375e-09 ] [ 2.436790156554916e-09 1.56805794922474e-09 2.103527485933467e-09 ] [ 5.776751306904104e-09 -4.619325457754569e-09 -3.523555851067956e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.8967189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.845408540209493e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7844545 0.276451 2.648758 ] [ 0.9572047 2.5016431 0.2764146 ] [ -0.486705 2.025531 1.9379278 ] [ 2.9905416 0.828335 3.0903204 ] [ 2.3299153 0.7860436 0.870376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.844545000000001e-11 2.76451e-11 2.648758e-10 ] [ 9.572047e-11 2.5016431e-10 2.764146e-11 ] [ -4.86705e-11 2.025531e-10 1.9379278e-10 ] [ 2.9905416e-10 8.28335e-11 3.0903204e-10 ] [ 2.3299153e-10 7.860436e-11 8.70376e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 -1.4e-06 -1.8e-06 ] [ -3.2e-06 1.5e-06 -8.5e-06 ] [ 6e-07 1.5e-06 2.2e-06 ] [ 7e-07 -4.1e-06 3.9e-06 ] [ -1.8e-06 2.4e-06 4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.08827115904e-15 -2.24304726912e-15 -2.88391791744e-15 ] [ -5.126965186560001e-15 2.4032649312e-15 -1.36185012768e-14 ] [ 9.6130597248e-16 2.4032649312e-15 3.52478856576e-15 ] [ 1.12152363456e-15 -6.568924145279999e-15 6.24848882112e-15 ] [ -2.88391791744e-15 3.84522388992e-15 6.72914180736e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.287503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.289110327620986e-18 } }