{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0242093 3.4034368 -2.1230297 ] [ 2.7091578 3.9036494 3.7477068 ] [ 0.5774803 -6.6614956 -5.6262798 ] [ 9.606576 -4.9990208 -1.2151241 ] [ -9.5112619 5.1504774 4.2535185 ] [ -2.1481887 2.0601988 5.396552 ] [ -4.2579729 -2.8572458 -4.4333436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.845317436865934e-09 5.452906871330366e-09 -3.401468550604038e-09 ] [ 4.340549289217962e-09 6.254335804479947e-09 6.004488216573181e-09 ] [ 9.252254356325702e-10 -1.067289250988207e-08 -9.0142939576393e-09 ] [ 1.539143147313838e-08 -8.009314252652913e-09 -1.946843424390641e-09 ] [ -1.523872145048579e-08 8.251974476238769e-09 6.814887896840286e-09 ] [ -3.441777712206745e-09 3.300802351560216e-09 8.646229447331482e-09 ] [ -6.822024632379977e-09 -4.577812420638992e-09 -7.102999467893307e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6804186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.230538711887747e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1893917 2.0217968 4.2023525 ] [ 1.0579682 4.3842378 2.306535 ] [ 2.850646 4.7949929 1.0977649 ] [ 1.1606865 2.5633571 3.5390462 ] [ 4.6954867 1.7648764 2.6023354 ] [ 4.6636198 3.5458816 1.2983948 ] [ 4.2222942 3.4386474 5.5638111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1893917e-10 2.0217968e-10 4.2023525e-10 ] [ 1.0579682e-10 4.384237800000001e-10 2.306535e-10 ] [ 2.850646e-10 4.7949929e-10 1.0977649e-10 ] [ 1.1606865e-10 2.5633571e-10 3.5390462e-10 ] [ 4.695486700000001e-10 1.7648764e-10 2.6023354e-10 ] [ 4.663619800000001e-10 3.5458816e-10 1.2983948e-10 ] [ 4.222294200000001e-10 3.4386474e-10 5.5638111e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3738755 0.7513038 1.3424134 ] [ -0.5799738 0.2427968 -0.2329389 ] [ 1.1291849 -0.2088612 -0.2572451 ] [ -0.8066271 -0.1477747 0.2419824 ] [ 0.1788709 0.1839545 -0.3888247 ] [ -0.6070305 0.2186006 -0.2494842 ] [ -0.6882999 -1.0400197 -0.4559028 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.201191205989911e-09 1.203721383478199e-09 2.150783364928639e-09 ] [ -9.29220463036535e-10 3.890033565650535e-10 -3.732092596548691e-10 ] [ 1.809153647340386e-09 -3.34632531632233e-10 -4.121520850353581e-10 ] [ -1.292359081323704e-09 -2.367611694857338e-10 3.876985439250739e-10 ] [ 2.865827741214547e-10 2.947275991909536e-10 -6.229658439295738e-10 ] [ -9.725700752125344e-10 3.502367706128525e-10 -3.997177524989914e-10 ] [ -1.102778007878978e-09 -1.66629524851143e-09 -7.304368075172583e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.296699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.611019013401474e-18 } }