{ "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" [ [ 0.099853 0.7165901 0.5986145 ] [ 0.2043706 1.471965 2.579922 ] [ 1.736021 0.3195483 2.600696 ] [ 1.725047 2.389347 1.166635 ] [ 1.83697 2.73027 2.853175 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.9853e-12 7.165901e-11 5.986145000000001e-11 ] [ 2.043706e-11 1.471965e-10 2.579922e-10 ] [ 1.736021e-10 3.195483e-11 2.600696e-10 ] [ 1.725047e-10 2.389347e-10 1.166635e-10 ] [ 1.83697e-10 2.73027e-10 2.853175e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5423425 -2.357328 -4.5041434 ] [ -18.0041949 4.906608 5.7711521 ] [ 10.7973455 -9.4154509 0.2113783 ] [ 1.0844714 -2.7951952 -28.6485392 ] [ 6.6647205 9.6613661 27.1701523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.689284739662239e-10 -3.776855809157222e-09 -7.216433252210624e-09 ] [ -2.88459001451066e-08 7.861252625030247e-09 9.246404969700825e-09 ] [ 1.729925452680009e-08 -1.508521530627032e-08 3.386653704044486e-10 ] [ 1.737514723006245e-09 -4.478396400012381e-09 -4.590001972631233e-08 ] [ 1.067805936926649e-08 1.547921489040967e-08 4.353138279863535e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.0007276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.807695606109294e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.202172 0.4029573 0.6060727 ] [ -0.1741629 1.8196108 2.5941315 ] [ 1.9048231 0.359221 2.394919 ] [ 1.6306952 2.397802 0.8903754 ] [ 2.0387342 2.6481293 3.3135438 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.02172e-11 4.029573e-11 6.060727e-11 ] [ -1.741629e-11 1.8196108e-10 2.5941315e-10 ] [ 1.9048231e-10 3.59221e-11 2.394919e-10 ] [ 1.6306952e-10 2.397802e-10 8.903754000000001e-11 ] [ 2.0387342e-10 2.6481293e-10 3.3135438e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 5.4e-06 -9e-07 ] [ -2e-06 -3.2e-06 -6e-07 ] [ 5.1e-06 -5.7e-06 1.2e-06 ] [ 8e-07 -3.6e-06 -9.1e-06 ] [ 4e-07 7.2e-06 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 8.65175375232e-15 -1.44195895872e-15 ] [ -3.2043532416e-15 -5.126965186560001e-15 -9.6130597248e-16 ] [ 8.17110076608e-15 -9.13240673856e-15 1.92261194496e-15 ] [ 1.28174129664e-15 -5.76783583488e-15 -1.457980724928e-14 ] [ 6.408706483200001e-16 1.153567166976e-14 1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.299971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.2911079214318e-18 } }