{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.4054487 -0.2100944 -2.1004501 ] [ 1.1610975 0.380698 -2.5638879 ] [ 13.2003637 -26.5927925 19.0959574 ] [ 7.535338 16.5741842 -39.9165446 ] [ -13.4913504 9.8480047 25.4849252 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.346701339447375e-08 -3.366083358410035e-10 -3.365292043377022e-09 ] [ 1.860283268969328e-09 6.099454351853183e-10 -4.107801251732008e-09 ] [ 2.114931410619699e-08 -4.260635042528559e-08 3.059509649807276e-08 ] [ 1.207294237342583e-08 2.655477043407275e-08 -6.395335454124049e-08 ] [ -2.161552619390073e-08 1.577824289186852e-08 4.083135133827676e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.14637528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.345190514790538e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.9952831 0.4569497 0.3092232 ] [ 0.4687963 0.4411332 2.5694209 ] [ 2.7043776 0.5462039 1.8341781 ] [ 2.4471727 2.2663353 0.2453326 ] [ 1.5853363 2.4677897 2.3906975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.952831e-11 4.569497000000001e-11 3.092232e-11 ] [ 4.687963e-11 4.411332e-11 2.5694209e-10 ] [ 2.7043776e-10 5.462039e-11 1.8341781e-10 ] [ 2.4471727e-10 2.2663353e-10 2.453326e-11 ] [ 1.5853363e-10 2.4677897e-10 2.3906975e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.09e-05 0.0001205 8.84e-05 ] [ 2.65e-05 -2.59e-05 3.77e-05 ] [ -5e-05 2.13e-05 -2.9e-06 ] [ 3.67e-05 -1.01e-05 -1.51e-05 ] [ -4.4e-05 -0.0001058 -0.0001082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.950725758272e-14 1.930622828064e-13 1.4163241327872e-13 ] [ 4.24576804512e-14 -4.149637447872e-14 6.040205860416e-14 ] [ -8.010883104e-14 3.412636202304e-14 -4.646312200320001e-15 ] [ 5.879988198335999e-14 -1.618198387008e-14 -2.419286697408e-14 ] [ -7.04957713152e-14 -1.6951028648064e-13 -1.7335551037056e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247308174621e-18 } }