{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0060589 -0.165154 -0.0062766 ] [ 1.2683102 -0.1275685 -0.0027296 ] [ 0.8617005 1.3660099 -0.252557 ] [ -0.5480925 -1.2481616 -0.2690184 ] [ 0.1382864 -0.4019259 -0.0923255 ] [ 0.2735925 1.7480024 0.790187 ] [ -0.9877382 -1.1712022 -0.16728 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.611884048727765e-09 -2.646058776316032e-10 -1.005622177811328e-11 ] [ 2.032056950362172e-09 -2.043872682505248e-10 -4.37330130413568e-12 ] [ 1.38059639523167e-09 2.188589125561346e-09 -4.046409208193855e-10 ] [ -8.78140989535824e-10 -1.999775334500321e-09 -4.310149910450227e-10 ] [ 2.215592370545972e-10 -6.439562802739988e-10 -1.479217576036704e-10 ] [ 4.38343507126224e-10 2.80060857838229e-09 1.266019137460089e-09 ] [ -1.582531051511075e-09 -1.876472783069526e-09 -2.68012105127424e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.142867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.785284099608384e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.169363 1.9950669 1.2018284 ] [ 2.3644196 3.8886223 2.1538966 ] [ 5.2935099 2.7559837 1.583922 ] [ 3.4526408 0.4895896 2.8731198 ] [ 5.412846 1.4614541 3.4672545 ] [ 4.891188 3.2876854 4.7052648 ] [ 4.4466167 4.4795021 2.8286066 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.169363e-10 1.9950669e-10 1.2018284e-10 ] [ 2.3644196e-10 3.8886223e-10 2.1538966e-10 ] [ 5.2935099e-10 2.7559837e-10 1.583922e-10 ] [ 3.4526408e-10 4.895896000000001e-11 2.8731198e-10 ] [ 5.412846e-10 1.4614541e-10 3.4672545e-10 ] [ 4.891188e-10 3.2876854e-10 4.705264800000001e-10 ] [ 4.4466167e-10 4.4795021e-10 2.8286066e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.56e-05 8e-06 4.81e-05 ] [ -3.05e-05 4.18e-05 -4.6e-05 ] [ -3.13e-05 -1.76e-05 1.3e-05 ] [ 5.3e-06 -1.67e-05 -1.36e-05 ] [ 4.25e-05 -1.43e-05 -2.18e-05 ] [ -7e-06 2.9e-06 2.43e-05 ] [ 5.3e-06 -4e-06 -4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.499395528448e-14 1.28174129664e-14 7.706469546047999e-14 ] [ -4.88663869344e-14 6.697098274944e-14 -7.37001245568e-14 ] [ -5.014812823104e-14 -2.819830852608e-14 2.08282960704e-14 ] [ 8.491536090240001e-15 -2.675634956736e-14 -2.178960204288e-14 ] [ 6.8092506384e-14 -2.291112567744e-14 -3.492745033344e-14 ] [ -1.12152363456e-14 4.646312200320001e-15 3.893289188544e-14 ] [ 8.491536090240001e-15 -6.4087064832e-15 -6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.292795 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.289958199488714e-18 } }