{ "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" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 18.7342304 -28.1043211 17.1748017 ] [ -67.6370572 -154.6264333 -143.352057 ] [ 50.3621387 186.9953581 128.7914803 ] [ 19.9958173 -38.6901052 -1.5695909 ] [ -34.9163974 21.8985977 -28.1125865 ] [ 13.4612682 12.5269038 27.0679524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.001554620285248e-08 -4.502808658085317e-08 2.751706597732347e-08 ] [ -1.083665126383615e-07 -2.477388584320195e-07 -2.296753161612361e-07 ] [ 8.068904186340713e-08 2.995995934142826e-07 2.063467003949313e-07 ] [ 3.203683125579297e-08 -6.198838251844189e-08 -2.51476186491903e-09 ] [ -5.594223605773835e-08 3.508542155230614e-08 -4.504132921160383e-08 ] [ 2.156732937404724e-08 2.00703125647258e-08 4.336764086550421e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 71.036826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.138135427707237e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.1866056 -0.6548992 2.2198508 ] [ 0.0602988 1.4667879 1.5570431 ] [ 0.7262364 3.2085038 3.2100365 ] [ 3.1384976 -0.0046395 0.5904438 ] [ 1.8641094 2.0676914 0.0511855 ] [ 2.6780465 3.8587691 1.5805623 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1866056e-10 -6.548992e-11 2.2198508e-10 ] [ 6.02988e-12 1.4667879e-10 1.5570431e-10 ] [ 7.262364e-11 3.2085038e-10 3.210036500000001e-10 ] [ 3.1384976e-10 -4.639500000000001e-13 5.904437999999999e-11 ] [ 1.8641094e-10 2.0676914e-10 5.118550000000001e-12 ] [ 2.6780465e-10 3.8587691e-10 1.5805623e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.97e-05 1.06e-05 -2.48e-05 ] [ -1.49e-05 -3.22e-05 2.75e-05 ] [ -1.45e-05 2.28e-05 1.44e-05 ] [ -3.77e-05 -4.81e-05 3.1e-05 ] [ 3.12e-05 5.64e-05 -4.97e-05 ] [ -3.8e-06 -9.6e-06 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.36064123698e-14 1.69830723204e-14 -3.97339805232e-14 ] [ -2.38724318466e-14 -5.159008761479998e-14 4.4059857435e-14 ] [ -2.3231561193e-14 3.65296272552e-14 2.30713435296e-14 ] [ -6.040205910179999e-14 -7.706469609539999e-14 4.966747565399999e-14 ] [ 4.998791098079999e-14 9.03627621576e-14 -7.96281787098e-14 ] [ -6.088271209199999e-15 -1.53808956864e-14 2.5634826144e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949841671799e-18 } }