{ "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" [ [ 0.9136055 0.1992462 0.0711002 ] [ 0.7203108 0.3740979 2.589381 ] [ 1.027468 2.872573 2.429267 ] [ 2.566191 2.896163 0.5924317 ] [ 2.633567 2.125326 2.686178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.136055e-11 1.992462e-11 7.11002e-12 ] [ 7.203108000000001e-11 3.740979e-11 2.589381e-10 ] [ 1.027468e-10 2.872573e-10 2.429267e-10 ] [ 2.566191e-10 2.896163e-10 5.924317e-11 ] [ 2.633567e-10 2.125326e-10 2.686178e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9548232 1.8478905 1.8429904 ] [ 1.2812295 1.8399618 -1.4684392 ] [ -14.1456946 5.5133364 -2.1697941 ] [ -1.0838964 -0.9640951 -2.3465401 ] [ 12.9935383 -8.2370936 4.141783 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.529795408037443e-09 2.960646956898423e-09 2.95279613123884e-09 ] [ 2.052755950779274e-09 2.947943779125086e-09 -2.352698955306255e-09 ] [ -2.266390117309681e-08 8.833338682685638e-09 -3.476393378969777e-09 ] [ -1.736593471449285e-09 -1.544650629447838e-09 -3.759571687989694e-09 ] [ 2.081794328572938e-08 -1.319727878926131e-08 6.635867891026887e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.2242235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.477883523673395e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.306679 0.8178806 0.5937975 ] [ 0.677771 0.4523692 2.8999632 ] [ 0.6387463 2.7017562 2.0132515 ] [ 2.4666836 2.9345931 0.4473787 ] [ 2.7712624 1.560807 2.4139671 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.306679e-10 8.178806e-11 5.937975e-11 ] [ 6.77771e-11 4.523692e-11 2.8999632e-10 ] [ 6.387463e-11 2.7017562e-10 2.0132515e-10 ] [ 2.4666836e-10 2.9345931e-10 4.473787e-11 ] [ 2.7712624e-10 1.560807e-10 2.4139671e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.42e-05 -1.51e-05 -1.8e-05 ] [ 1.13e-05 -5e-07 3.1e-06 ] [ -1.53e-05 1.55e-05 -3.5e-06 ] [ 5.4e-06 6.9e-06 1.1e-06 ] [ 1.28e-05 -6.9e-06 1.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.275090801536e-14 -2.419286697408e-14 -2.88391791744e-14 ] [ 1.810459581504e-14 -8.010883104e-16 4.96674752448e-15 ] [ -2.451330229824e-14 2.48337376224e-14 -5.6076181728e-15 ] [ 8.65175375232e-15 1.105501868352e-14 1.76239428288e-15 ] [ 2.050786074624e-14 -1.105501868352e-14 2.771765553984e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }