{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.8542273 -4.1104417 -28.4045274 ] [ -3.3921444 -28.0641454 17.9533106 ] [ -43.0705108 -19.9923905 36.4076437 ] [ -28.4723322 26.4744164 -39.7164007 ] [ 35.2542077 -58.5151666 48.1704698 ] [ 1.5854488 56.1238374 -45.4508795 ] [ 33.2411036 28.0838904 11.0403835 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.777329492109109e-09 -6.585653592901407e-09 -4.550906972515301e-08 ] [ -5.434814452057644e-09 -4.496371764261187e-08 2.876437450928082e-08 ] [ -6.900656544967391e-08 -3.203134065300402e-08 5.833147555455641e-08 ] [ -4.561770499049103e-08 4.24166910054041e-08 -6.363268866386475e-08 ] [ 5.648346736176735e-08 -9.375163188873703e-08 7.717760052651245e-08 ] [ 2.540169000835415e-09 8.992030015186065e-08 -7.282033652969798e-08 ] [ 5.325811903751072e-08 4.499535261998956e-08 1.768864432836608e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 36.074329 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.779744653484744e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1996674 1.339217 1.1627295 ] [ 1.5346641 2.77731 5.4730534 ] [ 1.2099114 1.0154746 3.2133142 ] [ 0.9488402 4.0469084 2.8609942 ] [ 4.1560118 1.2227451 3.8429918 ] [ 3.3401191 4.0414472 1.3971165 ] [ 3.788211 3.9396087 4.1957884 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1996674e-10 1.339217e-10 1.1627295e-10 ] [ 1.5346641e-10 2.77731e-10 5.473053400000001e-10 ] [ 1.2099114e-10 1.0154746e-10 3.2133142e-10 ] [ 9.488402000000001e-11 4.0469084e-10 2.8609942e-10 ] [ 4.1560118e-10 1.2227451e-10 3.8429918e-10 ] [ 3.3401191e-10 4.0414472e-10 1.3971165e-10 ] [ 3.788211e-10 3.9396087e-10 4.1957884e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.1e-06 -4.1e-06 1.56e-05 ] [ 4.8e-05 -3.62e-05 -6.25e-05 ] [ -8.2e-06 1.83e-05 8.9e-06 ] [ 5.96e-05 2.65e-05 5.86e-05 ] [ -2.9e-06 -2.03e-05 2.25e-05 ] [ -8.6e-06 -8.2e-06 -8.14e-05 ] [ -9.71e-05 2.4e-05 3.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.457980724928e-14 -6.568924145279999e-15 2.499395528448e-14 ] [ 7.69044777984e-14 -5.799879367296e-14 -1.001360388e-13 ] [ -1.313784829056e-14 2.931983216064e-14 1.425937192512e-14 ] [ 9.548972659968001e-14 4.24576804512e-14 9.388754997888e-14 ] [ -4.646312200320001e-15 -3.252418540224e-14 3.604897396800001e-14 ] [ -1.377871893888e-14 -1.313784829056e-14 -1.3041717693312e-13 ] [ -1.5557134987968e-13 3.84522388992e-14 6.136336457664001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.983946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.041563445172968e-18 } }