{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3247923 -10.3636263 -7.4467228 ] [ -4.8339817 -16.0332385 11.5255666 ] [ 0.736842 16.7149956 -4.4170215 ] [ -15.1508128 7.6995932 5.585037 ] [ 10.4435922 -9.7272274 -3.465927 ] [ 0.8708032 5.1506221 -13.8769346 ] [ 15.2583494 6.5588812 12.0960023 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.173561097527586e-08 -1.660435976456801e-08 -1.193096517173831e-08 ] [ -7.744892465115039e-09 -2.568807988041046e-08 1.846599334799335e-08 ] [ 1.180551025623514e-09 2.678037516709487e-08 -7.076848580870946e-09 ] [ -2.427427805427739e-08 1.233610821471066e-08 8.94821570770297e-09 ] [ 1.673247926000924e-08 -1.558473632548517e-08 -5.553027208799483e-09 ] [ 1.395180528357826e-09 8.2522063111958e-09 -2.22333001844906e-08 ] [ 2.444657068067771e-08 1.050848611724465e-08 1.937993209020303e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 80.506707 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.289859637729957e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.9270609 0.8520747 1.7999118 ] [ 2.0087767 -0.517925 7.0155605 ] [ 3.1366079 7.0116627 2.6625499 ] [ -0.5631249 4.3861849 5.7733455 ] [ 6.4306832 0.1961294 1.8698025 ] [ 4.0553753 3.7510779 -1.6727571 ] [ 5.5497768 3.6232524 6.2605065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.270609e-11 8.520747e-11 1.7999118e-10 ] [ 2.0087767e-10 -5.17925e-11 7.015560500000001e-10 ] [ 3.1366079e-10 7.0116627e-10 2.6625499e-10 ] [ -5.631249000000001e-11 4.3861849e-10 5.7733455e-10 ] [ 6.4306832e-10 1.961294e-11 1.8698025e-10 ] [ 4.0553753e-10 3.7510779e-10 -1.6727571e-10 ] [ 5.5497768e-10 3.6232524e-10 6.2605065e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }