{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.444396 -3.8529882 2.0204799 ] [ 1.4148143 0.5336253 -14.3486448 ] [ -16.9993727 -5.3568211 9.3542866 ] [ 5.9201525 14.5605763 6.6882505 ] [ -4.0106416 -17.969763 -20.9177317 ] [ 5.5235194 6.152121 -12.5960235 ] [ 8.5959241 5.9332495 29.7993829 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.12000887443064e-10 -6.173167665117718e-09 3.237165685246657e-09 ] [ 2.266782412909066e-09 8.549619869712401e-10 -2.29890634281256e-08 ] [ -2.723599773259748e-08 -8.582573598938178e-09 1.49872194182593e-08 ] [ 9.485130005216686e-09 2.332861512543417e-08 1.071575867343881e-08 ] [ -6.425756258868373e-09 -2.879073439711774e-08 -3.35139009660211e-08 ] [ 8.849653720125697e-09 9.856784515740714e-09 -2.01810545330149e-08 ] [ 1.377218874065748e-08 9.506113712592181e-09 4.774387498999916e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.167687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.629043053322556e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1607337 1.8153421 3.7206306 ] [ 1.9233308 3.7125097 0.6619281 ] [ 1.0198926 3.9498336 3.0061752 ] [ 3.0243082 5.3174894 3.6988914 ] [ 3.5961025 1.8943818 1.5313276 ] [ 4.252071 4.5546114 1.5148086 ] [ 4.4324043 3.1135291 3.8382005 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1607337e-10 1.8153421e-10 3.7206306e-10 ] [ 1.9233308e-10 3.7125097e-10 6.619281e-11 ] [ 1.0198926e-10 3.9498336e-10 3.0061752e-10 ] [ 3.0243082e-10 5.317489400000001e-10 3.6988914e-10 ] [ 3.5961025e-10 1.8943818e-10 1.5313276e-10 ] [ 4.252071e-10 4.5546114e-10 1.5148086e-10 ] [ 4.4324043e-10 3.1135291e-10 3.8382005e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 1.78e-05 3.1e-06 ] [ 1.1e-06 -2.17e-05 1.27e-05 ] [ 2.08e-05 -4.5e-06 -1.9e-06 ] [ -2.9e-06 -1.18e-05 -1.83e-05 ] [ -1.18e-05 2.29e-05 -1.46e-05 ] [ 2.1e-06 2.9e-06 2.29e-05 ] [ -1.16e-05 -5.6e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.5247885948e-15 2.851874408519999e-14 4.9667475654e-15 ] [ 1.7623942974e-15 -3.476723295779999e-14 2.03476432518e-14 ] [ 3.332527398719999e-14 -7.209794853e-15 -3.0441356046e-15 ] [ -4.6463122386e-15 -1.89056842812e-14 -2.93198324022e-14 ] [ -1.89056842812e-14 3.66898449186e-14 -2.33917788564e-14 ] [ 3.364570931399999e-15 4.6463122386e-15 3.66898449186e-14 ] [ -1.85852489544e-14 -8.972189150399999e-15 -6.248488872599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.044153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.8522980120921e-18 } }