{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -39.2674759 -51.199482 50.2292391 ] [ -105.0989859 15.5298493 -52.2132543 ] [ -10.139411 13.9355875 -32.5669479 ] [ -16.6992331 -47.2092636 55.2237118 ] [ 79.5700795 -31.030339 -34.6547533 ] [ 30.5218034 52.927013 -16.5017454 ] [ 61.1132232 47.0466348 30.48375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.291343184480744e-08 -8.203061305747043e-08 8.047611256659325e-08 ] [ -1.683871380787689e-07 2.488156147300725e-08 -8.365485533534506e-08 ] [ -1.624512725288235e-08 2.232727248961272e-08 -5.217800253619166e-08 ] [ -2.675512085810951e-08 -7.563757842510443e-08 8.847813995975708e-08 ] [ 1.274853210900974e-07 -4.971608368129846e-08 -5.552303553685165e-08 ] [ 4.890131983213396e-08 8.479842283737767e-08 -2.643871068227394e-08 ] [ 9.791417743277217e-08 7.537701836387569e-08 4.8840351564312e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 26.65777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.271045585666362e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1342968 2.1174052 1.1129888 ] [ 2.596099 1.2445783 3.8717417 ] [ 1.3518322 4.6068088 2.1559896 ] [ 1.7767534 3.8037617 4.6942188 ] [ 4.8650869 1.733462 2.0904977 ] [ 4.0915133 4.5007882 1.5394524 ] [ 4.5533434 3.6279487 4.2981869 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1342968e-10 2.1174052e-10 1.1129888e-10 ] [ 2.596099e-10 1.2445783e-10 3.8717417e-10 ] [ 1.3518322e-10 4.6068088e-10 2.1559896e-10 ] [ 1.7767534e-10 3.8037617e-10 4.6942188e-10 ] [ 4.8650869e-10 1.733462e-10 2.0904977e-10 ] [ 4.0915133e-10 4.5007882e-10 1.5394524e-10 ] [ 4.5533434e-10 3.6279487e-10 4.2981869e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.57e-05 -3e-06 3.61e-05 ] [ 5.89e-05 2.24e-05 1.3e-06 ] [ 3.06e-05 -1.26e-05 2.7e-06 ] [ -6.77e-05 1.82e-05 1.36e-05 ] [ 1.69e-05 -1.25e-05 2.8e-06 ] [ 3.08e-05 4.95e-05 -1.97e-05 ] [ -3.38e-05 -6.2e-05 -3.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.719770536256001e-14 -4.8065298624e-15 5.783857601088001e-14 ] [ 9.436820296512001e-14 3.588875630592e-14 2.08282960704e-15 ] [ 4.902660459647999e-14 -2.018742542208e-14 4.32587687616e-15 ] [ -1.0846735722816e-13 2.915961449856e-14 2.178960204288e-14 ] [ 2.707678489152e-14 -2.002720776e-14 4.48609453824e-15 ] [ 4.934703992064001e-14 7.930774272959999e-14 -3.156287942976e-14 ] [ -5.415356978304e-14 -9.93349504896e-14 -5.879988198335999e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.305738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093120207089015e-18 } }