{ "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" [ [ 0.1860509 3.95381 2.613527 ] [ 1.567846 3.644648 0.7971861 ] [ 2.293743 3.741388 3.176886 ] [ 3.786148 2.787453 1.709706 ] [ 5.865671 2.396852 2.649651 ] [ 3.786965 2.496542 4.574471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.860509e-11 3.95381e-10 2.613527e-10 ] [ 1.567846e-10 3.644648e-10 7.971861000000001e-11 ] [ 2.293743e-10 3.741388e-10 3.176886e-10 ] [ 3.786148e-10 2.787453e-10 1.709706e-10 ] [ 5.865671e-10 2.396852e-10 2.649651e-10 ] [ 3.786965e-10 2.496542e-10 4.574471e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1202465 0.2174569 -0.2838927 ] [ 0.6675956 -0.1972985 -0.2653643 ] [ 2.4845794 0.2087522 1.5762521 ] [ 0.1350636 -0.3313685 -0.8667157 ] [ -0.4737616 0.0267148 0.6693287 ] [ 0.3067695 0.0757431 -0.8296081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.999185993433028e-09 3.484043612116436e-10 -4.548462467557882e-10 ] [ 1.069606062468948e-09 -3.161070440189088e-10 -4.251604774549574e-10 ] [ 3.980735027201291e-09 3.344578943805658e-10 2.525434263106904e-09 ] [ 2.163957422410829e-10 -5.309108635695648e-10 -1.388631631420306e-09 ] [ -7.590497593528013e-10 4.280182798934784e-11 1.072382794770457e-09 ] [ 4.914989208745055e-10 1.213538240069165e-10 -1.329178702246308e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.390685 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305641906429725e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6581643 3.6067581 2.6348123 ] [ 1.6878321 2.9555911 0.6547499 ] [ 2.7138926 4.2948239 3.4858227 ] [ 3.7498017 3.6396483 1.4938062 ] [ 4.8531762 1.9362941 2.6360932 ] [ 3.823557 2.5875774 4.6161427 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.581643e-11 3.6067581e-10 2.6348123e-10 ] [ 1.6878321e-10 2.9555911e-10 6.547499e-11 ] [ 2.7138926e-10 4.2948239e-10 3.4858227e-10 ] [ 3.7498017e-10 3.6396483e-10 1.4938062e-10 ] [ 4.8531762e-10 1.9362941e-10 2.6360932e-10 ] [ 3.823557e-10 2.5875774e-10 4.6161427e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-06 5.1e-06 3e-06 ] [ 9e-07 -2.3e-06 1.42e-05 ] [ -2.2e-06 -1.9e-06 -1.26e-05 ] [ 6.9e-06 1.4e-06 1.6e-06 ] [ 5.6e-06 4.6e-06 1.8e-06 ] [ -6.4e-06 -7e-06 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.69044777984e-15 8.17110076608e-15 4.8065298624e-15 ] [ 1.44195895872e-15 -3.68500622784e-15 2.275090801536e-14 ] [ -3.52478856576e-15 -3.04413557952e-15 -2.018742542208e-14 ] [ 1.105501868352e-14 2.24304726912e-15 2.56348259328e-15 ] [ 8.972189076479999e-15 7.370012455680001e-15 2.88391791744e-15 ] [ -1.025393037312e-14 -1.12152363456e-14 -1.313784829056e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.469367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.798901138757503e-18 } }