{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8015019 -4.2270121 -1.7852924 ] [ -0.1265553 0.1729363 2.5677117 ] [ -0.742549 2.9605418 -2.4038985 ] [ 0.2945264 1.1691027 0.7410158 ] [ 1.8683455 -1.0927741 2.2221769 ] [ 1.4199945 1.4013897 -1.8834628 ] [ -0.9122602 -0.3841843 0.5417493 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.886324250286604e-09 -6.77242001825527e-09 -2.860353768137781e-09 ] [ -2.027639445688602e-10 2.770744990304141e-10 4.113927688588417e-09 ] [ -1.189694657400066e-09 4.743310895940301e-09 -3.851470007207648e-09 ] [ 4.718833161761375e-10 1.873109028686312e-09 1.187238200184817e-09 ] [ 2.993419504339047e-09 -1.750817129260379e-09 3.560319905794554e-09 ] [ 2.275082008308513e-09 2.24527383246827e-09 -3.017640089168215e-09 ] [ -1.461601976568167e-09 -6.155311086096461e-10 8.679780699458562e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.318033 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.133784128344092e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5128338 2.8523104 2.3043063 ] [ 3.1441002 2.5826745 4.5830586 ] [ 2.0886262 4.533649 1.5653133 ] [ 0.8490642 5.2968741 3.3750387 ] [ 5.0074702 1.6750736 1.0204588 ] [ 7.1032092 2.3572998 0.3799526 ] [ 1.5036492 4.0869316 5.2465727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5128338e-10 2.8523104e-10 2.3043063e-10 ] [ 3.1441002e-10 2.5826745e-10 4.583058600000001e-10 ] [ 2.0886262e-10 4.533649e-10 1.5653133e-10 ] [ 8.490642000000001e-11 5.2968741e-10 3.3750387e-10 ] [ 5.0074702e-10 1.6750736e-10 1.0204588e-10 ] [ 7.1032092e-10 2.3572998e-10 3.799526e-11 ] [ 1.5036492e-10 4.0869316e-10 5.2465727e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.06e-05 -6e-07 -4.8e-06 ] [ 7.9e-06 -2.05e-05 -8.8e-06 ] [ -2.14e-05 -3.6e-06 1.43e-05 ] [ -6e-07 1.4e-05 3.1e-06 ] [ 9.9e-06 -7e-06 3.9e-06 ] [ 3.57e-05 -4.3e-06 -1.88e-05 ] [ -2.08e-05 2.18e-05 1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.69830723204e-14 -9.613059803999998e-16 -7.690447843199998e-15 ] [ 1.26571954086e-14 -3.2844620997e-14 -1.40991543792e-14 ] [ -3.42865799676e-14 -5.767835882399999e-15 2.29111258662e-14 ] [ -9.613059803999998e-16 2.243047287599999e-14 4.9667475654e-15 ] [ 1.58615486766e-14 -1.1215236438e-14 6.248488872599999e-15 ] [ 5.719770583379999e-14 -6.8893595262e-15 -3.012092071919999e-14 ] [ -3.332527398719999e-14 3.492745062119999e-14 1.79443783008e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.766524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846510962020022e-18 } }