{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.4884297 -17.2639795 -10.2429352 ] [ -10.3515909 33.3052257 -0.8996921 ] [ -0.4751244 -29.9754296 11.932727 ] [ 0.5012246 -0.5824477 0.2607634 ] [ 8.7502315 -13.1551951 -19.5323303 ] [ 13.9794249 18.2556062 -6.4010989 ] [ -0.915736 9.4162201 24.8825661 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.840649347504436e-08 -2.765994433687048e-08 -1.641099130580937e-08 ] [ -1.658507692806603e-08 5.336085396700732e-08 -1.441465648538456e-09 ] [ -7.612332056516276e-10 -4.80259325035563e-08 1.911833622178892e-08 ] [ 8.030503358898318e-10 -9.33184087778732e-10 4.177890230403187e-10 ] [ 1.401941633588772e-08 -2.107694603128272e-08 -3.129424295640346e-08 ] [ 2.239750774700938e-08 2.924870545217153e-08 -1.02556910050086e-08 ] [ -1.467170810024909e-09 1.508644770052704e-08 3.986626567093063e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.922112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.910132911695913e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5584037 0.5610591 1.1653468 ] [ 1.7336055 2.6027966 2.791737 ] [ 2.4789469 0.1002728 3.806537 ] [ 2.4316399 2.397218 5.2861902 ] [ 4.9084553 0.7255341 2.5597354 ] [ 3.9555002 2.8902708 1.4370656 ] [ 4.6657914 1.076191 5.1229289 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5584037e-10 5.610591e-11 1.1653468e-10 ] [ 1.7336055e-10 2.6027966e-10 2.791737e-10 ] [ 2.4789469e-10 1.002728e-11 3.806537e-10 ] [ 2.4316399e-10 2.397218e-10 5.286190200000001e-10 ] [ 4.908455300000001e-10 7.255341e-11 2.5597354e-10 ] [ 3.9555002e-10 2.8902708e-10 1.4370656e-10 ] [ 4.6657914e-10 1.076191e-10 5.1229289e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.92e-05 -1.63e-05 -2.21e-05 ] [ 2.8e-06 -5.3e-06 1.43e-05 ] [ 1.2e-05 1.02e-05 -1e-06 ] [ 5.2e-06 7e-07 -1.7e-06 ] [ 4.7e-06 4.2e-06 1.37e-05 ] [ 8e-06 6.6e-06 7e-07 ] [ -1.35e-05 -1e-07 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.076179111936e-14 -2.611547891904e-14 -3.540810331968e-14 ] [ 4.48609453824e-15 -8.491536090240001e-15 2.291112567744e-14 ] [ 1.92261194496e-14 1.634220153216e-14 -1.6021766208e-15 ] [ 8.33131842816e-15 1.12152363456e-15 -2.72370025536e-15 ] [ 7.53023011776e-15 6.72914180736e-15 2.194981970496e-14 ] [ 1.28174129664e-14 1.057436569728e-14 1.12152363456e-15 ] [ -2.16293843808e-14 -1.6021766208e-16 -6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.67255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.952978278551904e-18 } }