{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.0668873e-10 2.7315202e-10 1.2757083e-10 ] [ 2.3642496e-10 2.7914852e-10 3.7467496e-10 ] [ 3.5841819e-10 1.0468958e-10 2.3882688e-10 ] [ 4.8836148e-10 2.9275575e-10 3.4606937e-10 ] [ 3.1813734e-10 4.9891753e-10 1.131681e-10 ] [ 4.5846129e-10 2.8960377e-10 9.886622e-11 ] [ 3.5028471e-10 5.0359093e-10 3.5538953e-10 ] ] "source-value" [ [ 2.0668873 2.7315202 1.2757083 ] [ 2.3642496 2.7914852 3.7467496 ] [ 3.5841819 1.0468958 2.3882688 ] [ 4.8836148 2.9275575 3.4606937 ] [ 3.1813734 4.9891753 1.131681 ] [ 4.5846129 2.8960377 0.9886622 ] [ 3.5028471 5.0359093 3.5538953 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.507557856448e-12 -7.404299035365122e-12 3.27532966590144e-12 ] [ -6.815819562545281e-12 -7.063996721107199e-13 1.53352335259872e-11 ] [ -3.5135733294144e-13 1.757956253640384e-11 -1.335958953487872e-11 ] [ 2.55931693406592e-12 4.59488233079232e-12 -1.464181148450496e-11 ] [ 1.107648785023872e-11 3.11575287446976e-12 -3.62524503988416e-12 ] [ -5.670103061011201e-12 -1.37691058791552e-11 8.77528156978368e-12 ] [ -9.305922466592639e-12 -3.41039315503488e-12 4.24064107993344e-12 ] ] "source-value" [ [ 0.00531 -0.0046214 0.0020443 ] [ -0.0042541 -0.0004409 0.0095715 ] [ -0.0002193 0.0109723 -0.0083384 ] [ 0.0015974 0.0028679 -0.0091387 ] [ 0.0069134 0.0019447 -0.0022627 ] [ -0.003539 -0.008594 0.0054771 ] [ -0.0058083 -0.0021286 0.0026468 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.256349620612074e-18 "source-value" -26.566045 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.31109222704885e-08 -3.011427784677016e-09 -3.641183012254892e-09 ] [ -4.574064288652294e-09 5.136171613858441e-09 5.309496843090868e-09 ] [ 8.262854216799975e-10 -1.347658415673576e-08 2.676868632734016e-10 ] [ 6.536291492520532e-09 1.723178286385665e-09 5.386159392219526e-09 ] [ -1.534816789784692e-09 1.152348503372921e-08 -3.647403943638134e-09 ] [ 1.180631070367489e-08 2.334747687793826e-09 -3.741183026259786e-09 ] [ 5.091573105006528e-11 -4.22957068035436e-09 6.64270437866784e-11 ] ] "source-value" [ [ -8.1831941 -1.8795854 -2.2726477 ] [ -2.8549064 3.2057462 3.3139273 ] [ 0.5157268 -8.4114223 0.167077 ] [ 4.0796323 1.0755233 3.3617763 ] [ -0.9579573 7.1923937 -2.2765305 ] [ 7.3689196 1.4572349 -2.3350628 ] [ 0.0317791 -2.6398904 0.0414605 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.824534021909637e-18 "source-value" -23.870864 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] "source-value" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] } "instance-id" 1 }