{ "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" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.8687515 -14.9385279 -16.2281052 ] [ -15.14219 -9.2875117 27.0002411 ] [ -7.3436285 15.2782596 -2.0772499 ] [ 8.1062394 -18.2489834 -6.0270549 ] [ 17.6031483 23.9677406 -13.4756336 ] [ 12.6451822 3.2290228 10.8078025 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.542454265458493e-08 -2.393416015054852e-08 -2.600029075132291e-08 ] [ -2.426046280571155e-08 -1.488023411114646e-08 4.325915504638328e-08 ] [ -1.176578989454057e-08 2.447847033763316e-08 -3.328121225339138e-09 ] [ 1.298762724928782e-08 -2.923809455684729e-08 -9.656406453058082e-09 ] [ 2.820335265873526e-08 3.840055364271896e-08 -2.159034510438694e-08 ] [ 2.025981528659631e-08 5.173464838190154e-09 1.731600848772379e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.383621 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.663639480544792e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0907034 2.1604829 1.4128949 ] [ 1.4899735 3.3504577 4.8499359 ] [ 0.8591708 4.2226789 2.5953129 ] [ 3.1363663 1.3003406 2.3053219 ] [ 3.2384203 4.9569833 2.3904489 ] [ 3.7574399 3.0040446 3.8596835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0907034e-10 2.1604829e-10 1.4128949e-10 ] [ 1.4899735e-10 3.3504577e-10 4.849935900000001e-10 ] [ 8.591708000000001e-11 4.2226789e-10 2.5953129e-10 ] [ 3.1363663e-10 1.3003406e-10 2.3053219e-10 ] [ 3.2384203e-10 4.956983300000001e-10 2.3904489e-10 ] [ 3.7574399e-10 3.0040446e-10 3.8596835e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.5e-06 7.5e-06 2.4e-06 ] [ -1.57e-05 -4.2e-06 2.49e-05 ] [ -4.91e-05 2.43e-05 -1.3e-05 ] [ 2.96e-05 -2e-05 -3.5e-06 ] [ 1.75e-05 1.63e-05 -2.19e-05 ] [ 2.32e-05 -2.39e-05 1.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.8119714144e-15 1.2016324656e-14 3.84522388992e-15 ] [ -2.515417294656e-14 -6.72914180736e-15 3.989419785791999e-14 ] [ -7.866687208128001e-14 3.893289188544e-14 -2.08282960704e-14 ] [ 4.742442797568e-14 -3.2043532416e-14 -5.6076181728e-15 ] [ 2.8038090864e-14 2.611547891904e-14 -3.508766799552e-14 ] [ 3.717049760256e-14 -3.829202123712e-14 1.76239428288e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }