{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7455411 -0.5820936 -3.3863266 ] [ -4.3078089 -5.2612736 3.7755626 ] [ -3.3779805 3.8869569 2.5478935 ] [ 1.789312 -6.4300451 -6.2548663 ] [ 5.3782576 -4.4807973 1.2943349 ] [ 2.6521108 7.1951362 -2.9270789 ] [ 0.6116501 5.6721164 4.9504809 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.398841761865515e-09 -9.32616757037307e-10 -5.425493308913154e-09 ] [ -6.901870706454167e-09 -8.429489557552252e-09 6.049118128086863e-09 ] [ -5.412121382618295e-09 6.227591471237244e-09 4.082175397988285e-09 ] [ 2.86679385371689e-09 -1.03020679299096e-08 -1.00214005520898e-08 ] [ 8.616918587359918e-09 -7.179028676603764e-09 2.073753116265506e-09 ] [ 4.249149919531185e-09 1.152787900311175e-08 -4.689697380816982e-09 ] [ 9.79971490329982e-10 9.087732286536261e-09 7.931544759696943e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.498439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483123662469493e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0712065 2.2935822 1.1913715 ] [ 2.2113828 1.3607132 3.5068556 ] [ 2.0878839 3.8538518 3.3641836 ] [ 4.5233173 1.8191884 1.0753046 ] [ 4.6412523 1.3928358 3.4651426 ] [ 3.9141328 4.2160159 1.4434156 ] [ 4.5444263 3.7943917 3.8259274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0712065e-10 2.2935822e-10 1.1913715e-10 ] [ 2.2113828e-10 1.3607132e-10 3.5068556e-10 ] [ 2.0878839e-10 3.8538518e-10 3.3641836e-10 ] [ 4.523317300000001e-10 1.8191884e-10 1.0753046e-10 ] [ 4.6412523e-10 1.3928358e-10 3.4651426e-10 ] [ 3.9141328e-10 4.216015900000001e-10 1.4434156e-10 ] [ 4.5444263e-10 3.7943917e-10 3.8259274e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.87e-05 -2.95e-05 3.4e-06 ] [ -3.67e-05 -2.95e-05 1.52e-05 ] [ -3.88e-05 -1.9e-06 1.98e-05 ] [ 1.95e-05 1.1e-06 -3.5e-05 ] [ -1.6e-06 -2.07e-05 1.08e-05 ] [ 5.45e-05 4.14e-05 -2.07e-05 ] [ 3.19e-05 3.91e-05 6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.598246901696e-14 -4.72642103136e-14 5.44740051072e-15 ] [ -5.879988198335999e-14 -4.72642103136e-14 2.435308463616e-14 ] [ -6.216445288704e-14 -3.04413557952e-15 3.172309709184e-14 ] [ 3.12424441056e-14 1.76239428288e-15 -5.6076181728e-14 ] [ -2.56348259328e-15 -3.316505605055999e-14 1.730350750464e-14 ] [ 8.731862583360001e-14 6.633011210111999e-14 -3.316505605055999e-14 ] [ 5.110943420352001e-14 6.264510587328001e-14 1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }