{ "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" [ [ 1.250049 0.006506 1.072993 ] [ 1.196915 2.832702 0.8072165 ] [ 0.1797786 2.271145 2.71237 ] [ 2.446401 0.6534775 0.0239044 ] [ 1.500106 1.367345 2.855106 ] [ 2.614126 2.99563 2.902741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.250049e-10 6.506e-13 1.072993e-10 ] [ 1.196915e-10 2.832702e-10 8.072165e-11 ] [ 1.797786e-11 2.271145e-10 2.71237e-10 ] [ 2.446401e-10 6.534775e-11 2.39044e-12 ] [ 1.500106e-10 1.367345e-10 2.855106e-10 ] [ 2.614126e-10 2.99563e-10 2.902741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -369.2559488 -186.5797592 346.495461 ] [ 0.2800917 0.7768149 -6.1610521 ] [ -732.3311338 494.1166631 -81.2081692 ] [ 369.9582621 205.6986032 -324.9576542 ] [ 695.5813592 -555.7439652 64.6198864 ] [ 35.7673695 41.7316431 1.2115281 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.916132482586818e-07 -2.989337281047337e-07 5.551469268275181e-07 ] [ 4.487563734201274e-10 1.24459467146909e-09 -9.871093634150743e-09 ] [ -1.173323821258317e-06 7.9166216556653e-07 -1.301098301102106e-07 ] [ 5.927384782084188e-07 3.295654929782561e-07 -5.206395563092508e-07 ] [ 1.114444191574527e-06 -8.903999881941289e-07 1.035324712288319e-07 ] [ 5.730564320041499e-08 6.686146292238964e-08 1.941081997262245e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 252.54833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.046270299480833e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.7521784 -0.5646425 1.472466 ] [ 1.5415646 3.2090254 0.8573228 ] [ -0.4412078 2.5309462 2.2928153 ] [ 1.9104505 1.0795686 -0.4329852 ] [ 1.3343592 1.0558353 3.3526338 ] [ 3.0900306 2.8160726 2.8320781 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7521784e-10 -5.646425000000001e-11 1.472466e-10 ] [ 1.5415646e-10 3.2090254e-10 8.573228000000001e-11 ] [ -4.412078e-11 2.5309462e-10 2.2928153e-10 ] [ 1.9104505e-10 1.0795686e-10 -4.329852e-11 ] [ 1.3343592e-10 1.0558353e-10 3.3526338e-10 ] [ 3.0900306e-10 2.8160726e-10 2.8320781e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.89e-05 1.27e-05 3.56e-05 ] [ -4.2e-06 4e-07 6.1e-06 ] [ -8e-07 3.7e-06 -2.18e-05 ] [ 5.2e-06 4.65e-05 1.68e-05 ] [ -3.48e-05 -4.13e-05 2.97e-05 ] [ 1.57e-05 -2.2e-05 -6.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.028113813312e-14 2.034764308416e-14 5.703748770048e-14 ] [ -6.72914180736e-15 6.408706483200001e-16 9.77327738688e-15 ] [ -1.28174129664e-15 5.928053496960001e-15 -3.492745033344e-14 ] [ 8.33131842816e-15 7.45012128672e-14 2.691656722944e-14 ] [ -5.575574640383999e-14 -6.616989443904001e-14 4.758464563776e-14 ] [ 2.515417294656e-14 -3.52478856576e-14 -1.065447452832e-13 ] ] } "relaxed-potential-energy" { "source-value" -19.824096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.17617031396948e-18 } }