{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.6079 1.726733 2.75301 ] [ 2.002918 3.986459 1.396167 ] [ 4.133267 4.619556 1.499098 ] [ 3.466505 3.469363 3.287809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6079e-10 1.726733e-10 2.75301e-10 ] [ 2.002918e-10 3.986459e-10 1.396167e-10 ] [ 4.133267e-10 4.619556e-10 1.499098e-10 ] [ 3.466505e-10 3.469363e-10 3.287809000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4567108 -3.9604769 -2.4091829 ] [ -81.5250016 18.1344846 -84.8165313 ] [ 19.3513973 10.57112 -9.9414599 ] [ 66.6303151 -24.7451277 97.1671742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.140437849426864e-09 -6.345383496398459e-09 -3.859936517611144e-09 ] [ -1.306174515742026e-07 2.905464725637764e-08 -1.358910635062114e-07 ] [ 3.100435633387224e-08 1.69368013196713e-08 -1.592797462840071e-08 ] [ 1.067535330897572e-07 -3.964606507965048e-08 1.556789748124409e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 30.105338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.823406870488184e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4953913 2.0085693 2.8823285 ] [ 1.5642726 3.861486 0.6509975 ] [ 4.1098952 4.892498 1.5857232 ] [ 4.0410308 3.0395577 3.8170349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4953913e-10 2.0085693e-10 2.8823285e-10 ] [ 1.5642726e-10 3.861486e-10 6.509975e-11 ] [ 4.109895200000001e-10 4.892498e-10 1.5857232e-10 ] [ 4.0410308e-10 3.0395577e-10 3.8170349e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.54e-05 8.3e-06 2.3e-06 ] [ -5.4e-06 1.76e-05 -1.7e-05 ] [ -1.89e-05 -1.38e-05 -8.8e-06 ] [ -1.1e-06 -1.21e-05 2.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.069528616832e-14 1.329806595264e-14 3.68500622784e-15 ] [ -8.65175375232e-15 2.819830852608e-14 -2.72370025536e-14 ] [ -3.028113813312e-14 -2.211003736704e-14 -1.409915426304e-14 ] [ -1.76239428288e-15 -1.938633711168e-14 3.76511505888e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.3275482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.494437965542512e-18 } }