{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1403.5403705 -293.7623541 -518.9131404 ] [ -256.7623428 -435.6191539 -733.5476887 ] [ -257.5431522 74.4807516 1264.8763186 ] [ 3.5156806 -3.998004 -21.1385166 ] [ 1385.0542477 301.8394536 522.8626729 ] [ 529.2759371 357.0593067 -514.1396458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.248719586490803e-06 -4.70659179687854e-07 -8.313905086244412e-07 ] [ -4.113786261252581e-07 -6.979388297014299e-07 -1.175272966759846e-06 ] [ -4.126296207015457e-07 1.193313198962781e-07 2.026555282560859e-06 ] [ 5.6327413099271e-09 -6.405508591438535e-09 -3.386763737394112e-08 ] [ 2.219101552487388e-06 4.836001197772472e-07 8.37718357311165e-07 ] [ 8.479935393600735e-07 5.720720781469795e-07 -8.237425271137962e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 623.81302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.994586446289747e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.8278353 0.0032659 2.3327421 ] [ -0.1151575 1.5108818 0.1970351 ] [ -0.0187029 2.4741413 2.7193831 ] [ 2.2341102 0.2575637 -0.0507709 ] [ 3.3855568 0.6579599 2.3602946 ] [ 2.1595106 2.7141216 1.2465847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.278353e-11 3.2659e-13 2.3327421e-10 ] [ -1.151575e-11 1.5108818e-10 1.970351e-11 ] [ -1.87029e-12 2.4741413e-10 2.7193831e-10 ] [ 2.2341102e-10 2.575637e-11 -5.077090000000001e-12 ] [ 3.3855568e-10 6.579599000000001e-11 2.3602946e-10 ] [ 2.1595106e-10 2.7141216e-10 1.2465847e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-05 2.38e-05 1.37e-05 ] [ 5.71e-05 9.3e-06 3.47e-05 ] [ 2.62e-05 -3.2e-05 -5.39e-05 ] [ -3.56e-05 5.2e-06 -1.85e-05 ] [ 1.7e-05 7.4e-06 4.4e-06 ] [ -4.67e-05 -1.37e-05 1.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8839179412e-14 3.81318038892e-14 2.19498198858e-14 ] [ 9.148428580139999e-14 1.49002426962e-14 5.55955291998e-14 ] [ 4.197702781079999e-14 -5.126965228799999e-14 -8.635732057259999e-14 ] [ -5.703748817039999e-14 8.331318496799998e-15 -2.9640267729e-14 ] [ 2.723700277799999e-14 1.18561070916e-14 7.0495771896e-15 ] [ -7.482164880779999e-14 -2.19498198858e-14 3.1242444363e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.832972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.337810095517625e-18 } }