{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9321836 -1.0069132 -6.5078409 ] [ -3.0893819 -3.8865853 5.2780031 ] [ 6.2544509 -6.7007869 -0.965795 ] [ 1.0966862 4.5684494 8.7499366 ] [ 2.2236096 0.7630321 0.0699672 ] [ -0.5095426 6.8593607 -6.2068494 ] [ -0.0436386 -0.5965568 -0.4174216 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.504405952518002e-09 -1.613252801506169e-09 -1.042671062776953e-08 ] [ -4.949735493682524e-09 -6.22699615370788e-09 8.456293240999565e-09 ] [ 1.002073509048027e-08 -1.073584420059329e-08 -1.54737418223403e-09 ] [ 1.757085004470251e-09 7.31946288229132e-09 1.40189439695014e-08 ] [ 3.562615344258086e-09 1.222512201611951e-09 1.120998129864048e-10 ] [ -8.163772477476083e-10 1.098990743771788e-08 -9.94446907943692e-09 ] [ -6.99167452604724e-11 -9.557893658138111e-10 -6.687831340468943e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.517917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.685156085575138e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6269991 2.2061724 1.3035772 ] [ 2.3132711 1.1488119 3.2502231 ] [ 4.4635929 0.1000545 3.9131546 ] [ 4.3139732 2.6009336 3.9790302 ] [ 5.1740685 3.7788013 1.9012184 ] [ 2.8241022 4.1755967 1.059577 ] [ 3.395325 4.9146872 3.4102706 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6269991e-10 2.2061724e-10 1.3035772e-10 ] [ 2.3132711e-10 1.1488119e-10 3.2502231e-10 ] [ 4.4635929e-10 1.000545e-11 3.9131546e-10 ] [ 4.3139732e-10 2.6009336e-10 3.9790302e-10 ] [ 5.1740685e-10 3.7788013e-10 1.9012184e-10 ] [ 2.8241022e-10 4.1755967e-10 1.059577e-10 ] [ 3.395325e-10 4.9146872e-10 3.4102706e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 3.93e-05 -5.4e-06 ] [ -2.27e-05 -3.83e-05 -1.83e-05 ] [ 1.28e-05 7e-07 2.05e-05 ] [ 1.71e-05 4.38e-05 2.2e-06 ] [ 7.3e-06 -1.87e-05 6.6e-06 ] [ -2.65e-05 7e-06 1.65e-05 ] [ 4.6e-06 -3.38e-05 -2.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.16958894282e-14 6.29655417162e-14 -8.6517538236e-15 ] [ -3.636940959179999e-14 -6.13633650822e-14 -2.93198324022e-14 ] [ 2.05078609152e-14 1.1215236438e-15 3.2844620997e-14 ] [ 2.73972204414e-14 7.01753365692e-14 3.5247885948e-15 ] [ 1.16958894282e-14 -2.99607030558e-14 1.05743657844e-14 ] [ -4.2457680801e-14 1.1215236438e-14 2.6435914461e-14 ] [ 7.370012516399999e-15 -5.415357022919999e-14 -3.54081036114e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.724778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.679604852043725e-18 } }