{ "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" [ [ 2.448876 1.489587 3.211478 ] [ 1.818052 3.686595 2.502768 ] [ 2.645526 3.343853 4.556562 ] [ 4.834539 1.578647 2.504909 ] [ 4.649923 2.062861 4.836234 ] [ 4.865091 3.729921 2.57452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.448876e-10 1.489587e-10 3.211478e-10 ] [ 1.818052e-10 3.686595e-10 2.502768e-10 ] [ 2.645526e-10 3.343853e-10 4.556562e-10 ] [ 4.834539e-10 1.578647e-10 2.504909e-10 ] [ 4.649923e-10 2.062861e-10 4.836234000000001e-10 ] [ 4.865090999999999e-10 3.729921e-10 2.57452e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3909885 -0.607789 -0.3792006 ] [ 0.6205118 0.0102355 -0.9834683 ] [ 0.8638372 0.2765416 1.3442394 ] [ -0.6598976 -1.8756672 0.3948644 ] [ -0.3550328 0.4912984 -1.1266983 ] [ -0.8604071 1.7053807 0.7502634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.264326337016608e-10 -9.737853261794112e-10 -6.075463359133325e-10 ] [ 9.941694988905253e-10 1.63990788021984e-11 -1.57568991755792e-09 ] [ 1.384019766017334e-09 4.430684861986253e-10 2.153708939438219e-09 ] [ -1.05727250684203e-09 -3.005150136241398e-09 6.326425100662195e-10 ] [ -5.688252517771622e-10 7.871468103164468e-10 -1.805169674955105e-09 ] [ -1.378524139990328e-09 2.732321087103539e-09 1.202054478921919e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.28556193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.007058037362268e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4970136 1.3621763 3.6057568 ] [ 2.5203935 3.2601557 2.1865155 ] [ 2.7275902 3.5315854 4.5318333 ] [ 4.3597454 1.7655693 2.1969905 ] [ 4.5669424 2.0369991 4.5423083 ] [ 4.590322 3.9349782 3.1230666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4970136e-10 1.3621763e-10 3.6057568e-10 ] [ 2.5203935e-10 3.2601557e-10 2.1865155e-10 ] [ 2.7275902e-10 3.5315854e-10 4.5318333e-10 ] [ 4.359745400000001e-10 1.7655693e-10 2.1969905e-10 ] [ 4.566942400000001e-10 2.0369991e-10 4.5423083e-10 ] [ 4.590322e-10 3.9349782e-10 3.1230666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 1.9e-06 1.4e-06 ] [ -6.4e-06 4.7e-06 2.2e-06 ] [ -3.6e-06 1.9e-06 -4e-06 ] [ 5.9e-06 -5.7e-06 1.4e-06 ] [ 2.2e-06 -4.6e-06 -2.4e-06 ] [ 1e-07 1.8e-06 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 3.04413557952e-15 2.24304726912e-15 ] [ -1.025393037312e-14 7.53023011776e-15 3.52478856576e-15 ] [ -5.76783583488e-15 3.04413557952e-15 -6.4087064832e-15 ] [ 9.45284206272e-15 -9.13240673856e-15 2.24304726912e-15 ] [ 3.52478856576e-15 -7.370012455680001e-15 -3.84522388992e-15 ] [ 1.6021766208e-16 2.88391791744e-15 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }