{ "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" [ [ -0.922712 -5.1495379 2.3684849 ] [ -1.4471356 -0.5855038 -2.6069514 ] [ -2.8466351 5.9866339 1.6078745 ] [ -2.1380252 0.8748614 0.7521892 ] [ 1.0251316 -1.5958218 -0.8952868 ] [ 3.2720444 -1.0856773 -5.9476991 ] [ 3.057332 1.5550455 4.7213887 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.47834759413161e-09 -8.250469231303529e-09 3.794731133497826e-09 ] [ -2.318566825447381e-09 -9.380804997495592e-10 -4.176796584641829e-09 ] [ -4.560812205168669e-09 9.591644871868727e-09 2.57609893308049e-09 ] [ -3.425493990121244e-09 1.401682481520357e-09 1.205139950658255e-09 ] [ 1.642441882763297e-09 -2.556788378922973e-09 -1.434407579870845e-09 ] [ 5.242393039899563e-09 -1.739446787793268e-09 -9.529264445573202e-09 ] [ 4.898385852423706e-09 2.491457544380247e-09 7.564498592849306e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.734762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.040333794785225e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8770512 1.9098555 3.8534783 ] [ 1.9737569 3.0726836 1.575661 ] [ 2.6438865 5.1934342 3.0121992 ] [ 0.8890435 3.5251736 3.8596366 ] [ 4.6178227 1.2820344 2.278904 ] [ 4.4793473 3.6493776 1.7356358 ] [ 4.359185 3.8812312 4.2947252 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8770512e-10 1.9098555e-10 3.8534783e-10 ] [ 1.9737569e-10 3.0726836e-10 1.575661e-10 ] [ 2.6438865e-10 5.1934342e-10 3.0121992e-10 ] [ 8.890435e-11 3.5251736e-10 3.8596366e-10 ] [ 4.6178227e-10 1.2820344e-10 2.278904e-10 ] [ 4.4793473e-10 3.6493776e-10 1.7356358e-10 ] [ 4.359185e-10 3.8812312e-10 4.2947252e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0306753 0.0315076 -0.0676239 ] [ 0.0566902 -0.0324779 0.0818667 ] [ 0.1417015 -0.1271908 -0.1059204 ] [ 0.0129606 -0.0009821 0.0067674 ] [ -0.0145015 0.0019002 -0.0089656 ] [ -0.1450469 0.1201651 0.0966465 ] [ -0.0211286 0.0070778 -0.0027706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.914724849602624e-11 5.048074009751807e-11 -1.083454315873171e-10 ] [ 9.082771306847617e-11 -5.203533207268032e-11 1.311649127620474e-10 ] [ 2.270308304322912e-10 -2.037821261408486e-10 -1.697031885457843e-10 ] [ 2.076517031154048e-11 -1.57349765928768e-12 1.084257006360192e-11 ] [ -2.32339642665312e-11 3.04445601484416e-12 -1.436447471144448e-11 ] [ -2.323907520995155e-10 1.925257138560941e-10 1.548447627821472e-10 ] [ -3.385174895023488e-11 1.133988568669824e-11 -4.43899054558848e-12 ] ] } "relaxed-potential-energy" { "source-value" -16.560898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.653348359505348e-18 } }