{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2633599 -16.4958633 -4.1098394 ] [ -18.0890027 6.3844339 -6.8975712 ] [ -7.3826147 0.2895498 4.4702849 ] [ 8.7892992 10.6801563 -8.531474 ] [ 1.7600789 -13.1739377 8.1612587 ] [ 10.923576 -3.5444881 2.6092419 ] [ 9.2620232 15.860149 4.298099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.432832178636226e-09 -2.642928651917274e-08 -6.5846886019227e-09 ] [ -2.898177721952808e-08 1.022899073162297e-08 -1.10511273169434e-08 ] [ -1.182825267271441e-08 4.639099201173159e-10 7.162185955095266e-09 ] [ 1.408200969145615e-08 1.711149673034983e-08 -1.366892818376306e-08 ] [ 2.819957264343381e-09 -2.110697498681572e-08 1.30757778854406e-08 ] [ 1.750149808273198e-08 -5.678895966523814e-09 4.180466370191771e-09 ] [ 1.48393970323472e-08 2.54107599302045e-08 6.886313731683858e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.0146245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.62560765279089e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2873881 0.6651405 2.2617883 ] [ 0.7272796 2.397541 2.9097586 ] [ 1.6898737 2.5849117 5.1218428 ] [ 4.3559144 1.7923241 1.7089152 ] [ 3.0563024 0.5093017 4.6637886 ] [ 4.9680658 2.0381456 4.0369738 ] [ 3.6945239 3.9173223 4.8747077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2873881e-10 6.651405000000001e-11 2.2617883e-10 ] [ 7.272796e-11 2.397541e-10 2.9097586e-10 ] [ 1.6898737e-10 2.5849117e-10 5.1218428e-10 ] [ 4.3559144e-10 1.7923241e-10 1.7089152e-10 ] [ 3.0563024e-10 5.093017e-11 4.6637886e-10 ] [ 4.9680658e-10 2.0381456e-10 4.0369738e-10 ] [ 3.6945239e-10 3.9173223e-10 4.8747077e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-06 -2.4e-06 3.48e-05 ] [ -4.3e-06 -5.7e-06 -3e-07 ] [ 2.8e-06 -1.03e-05 1.5e-06 ] [ 6.2e-06 -4e-06 5e-07 ] [ -6.3e-06 4.23e-05 -4.14e-05 ] [ -4.2e-06 -1.68e-05 -3.8e-06 ] [ -3.1e-06 -3.1e-06 8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-14 -3.84522388992e-15 5.575574640383999e-14 ] [ -6.889359469440001e-15 -9.13240673856e-15 -4.8065298624e-16 ] [ 4.48609453824e-15 -1.650241919424e-14 2.4032649312e-15 ] [ 9.93349504896e-15 -6.4087064832e-15 8.010883104e-16 ] [ -1.009371271104e-14 6.777207105984e-14 -6.633011210111999e-14 ] [ -6.72914180736e-15 -2.691656722944e-14 -6.08827115904e-15 ] [ -4.96674752448e-15 -4.96674752448e-15 1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.457688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.797029956682071e-18 } }