{ "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" [ [ -2.6104502 -2.1498118 -3.6270692 ] [ -2.4030184 2.0215961 0.2515654 ] [ 3.4027112 1.285342 -4.281803 ] [ -2.6628419 -4.8240507 0.7586777 ] [ 2.3690388 -2.2198968 1.0437209 ] [ 1.509947 3.0892369 5.1928586 ] [ 0.3946136 2.7975842 0.6620497 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.182402280202684e-09 -3.444378205079966e-09 -5.81120547426376e-09 ] [ -3.850059899832223e-09 3.238954008120459e-09 4.030522024822003e-10 ] [ 5.451744331974314e-09 2.059344902132314e-09 -6.860204661471302e-09 ] [ -4.266343037066652e-09 -7.728981249093874e-09 1.215535673662316e-09 ] [ 3.795618579128087e-09 -3.556666753548733e-09 1.672225224620335e-09 ] [ 2.419201782047098e-09 4.949503137292667e-09 8.319876644040219e-09 ] [ 6.322406841697229e-10 4.482223999959472e-09 1.060720551147654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4304383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.098344664156897e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2786509 2.5092292 0.7579412 ] [ 2.2155021 4.4354793 2.2292779 ] [ 4.6611085 2.2882622 1.1506371 ] [ 5.0640027 0.3850408 2.491748 ] [ 5.2493641 1.0903888 4.7408829 ] [ 4.9639615 3.436108 4.8222762 ] [ 4.5979943 4.2133957 2.6211294 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2786509e-10 2.5092292e-10 7.579412e-11 ] [ 2.2155021e-10 4.4354793e-10 2.2292779e-10 ] [ 4.6611085e-10 2.2882622e-10 1.1506371e-10 ] [ 5.0640027e-10 3.850408000000001e-11 2.491748e-10 ] [ 5.249364100000001e-10 1.0903888e-10 4.7408829e-10 ] [ 4.9639615e-10 3.436108e-10 4.8222762e-10 ] [ 4.5979943e-10 4.213395700000001e-10 2.6211294e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 -0.0 9e-07 ] [ -2.5e-06 1.4e-06 1.8e-06 ] [ 8e-07 -3.2e-06 9e-07 ] [ 3e-07 5.2e-06 8e-07 ] [ -3.1e-06 -5.2e-06 -1.5e-06 ] [ 2.4e-06 5e-06 -6.5e-06 ] [ -2.1e-06 -3.1e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 0.0 1.44195895872e-15 ] [ -4.005441552e-15 2.24304726912e-15 2.88391791744e-15 ] [ 1.28174129664e-15 -5.126965186560001e-15 1.44195895872e-15 ] [ 4.8065298624e-16 8.33131842816e-15 1.28174129664e-15 ] [ -4.96674752448e-15 -8.33131842816e-15 -2.4032649312e-15 ] [ 3.84522388992e-15 8.010883104e-15 -1.04141480352e-14 ] [ -3.36457090368e-15 -4.96674752448e-15 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.848994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.738200454599947e-18 } }