{ "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" [ [ 0.6874791 0.1657934 2.219954 ] [ 0.5100092 2.362694 1.535272 ] [ 2.868635 0.820347 0.8272379 ] [ 1.615801 0.0071538 0.7495484 ] [ 2.741884 2.697599 0.8166341 ] [ 2.318736 2.919901 2.403388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.874791e-11 1.657934e-11 2.219954e-10 ] [ 5.100092000000001e-11 2.362694e-10 1.535272e-10 ] [ 2.868635e-10 8.203470000000001e-11 8.272379e-11 ] [ 1.615801e-10 7.1538e-13 7.495484e-11 ] [ 2.741884e-10 2.697599e-10 8.166341000000001e-11 ] [ 2.318736e-10 2.919901e-10 2.403388e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.7655954 2.0800661 21.3391171 ] [ -6.7466514 -0.8033621 -1.4600653 ] [ 60.2066785 23.6053529 3.071555 ] [ -44.5761706 -40.3215847 -24.9990472 ] [ 9.6402057 8.4513295 -35.8754699 ] [ -4.7584668 6.9881983 37.9239103 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.205491512127202e-08 3.332633275138635e-09 3.41890345261335e-08 ] [ -1.080932714176759e-08 -1.287127974656792e-09 -2.339282488501338e-09 ] [ 9.646173270872202e-08 3.781994454211348e-08 4.921173610501344e-09 ] [ -7.14188983801123e-08 -6.460230031994699e-08 -4.005288896611571e-08 ] [ 1.54453121922429e-08 1.354052253957735e-08 -5.747883913399411e-08 ] [ -7.62390425781299e-09 1.11963279377743e-08 6.076080245197632e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.913773 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.549667504931828e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3897651 0.1769345 2.4921779 ] [ 0.5358462 2.2842375 1.4890427 ] [ 3.4029445 0.7694411 0.8216691 ] [ 1.3736437 -0.2596391 0.4655543 ] [ 2.6953722 2.9368252 0.4910294 ] [ 2.3449726 3.065689 2.792561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.897651e-11 1.769345e-11 2.4921779e-10 ] [ 5.358462000000001e-11 2.2842375e-10 1.4890427e-10 ] [ 3.4029445e-10 7.694411e-11 8.216691000000001e-11 ] [ 1.3736437e-10 -2.596391e-11 4.655543e-11 ] [ 2.6953722e-10 2.9368252e-10 4.910294e-11 ] [ 2.3449726e-10 3.065689e-10 2.792561e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1555423 0.0308834 0.1924856 ] [ 0.0808496 0.0779846 -0.2221453 ] [ 0.5328463 -0.233632 -0.0993793 ] [ -0.1156563 -0.0498324 -0.1861444 ] [ -0.3954339 -0.0045989 -0.0879539 ] [ 0.0529366 0.1791953 0.4031374 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.492062366054598e-10 4.948066145081472e-11 3.083959281606605e-10 ] [ 1.295353389210317e-10 1.249451029024397e-10 -3.559160060806023e-10 ] [ 8.53713884339783e-10 -3.743197282707456e-10 -1.592231910514694e-10 ] [ -1.85301819908231e-10 -7.984030623835392e-11 -2.982362057728435e-10 ] [ -6.335549496517652e-10 -7.368250061397121e-12 -1.409176822881811e-10 ] [ 8.481378290464128e-11 2.871025202172422e-10 6.458973172500979e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.433763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.632979087036807e-18 } }