{ "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" [ [ -16.0694946 -1.3762061 -15.88671 ] [ -2.7734051 -8.9539942 14.4145107 ] [ 13.4556317 -13.3079851 -3.1685873 ] [ -1.8268874 8.5104547 17.3265296 ] [ 6.5890968 0.2798433 1.1209368 ] [ 0.4798701 14.2735874 -13.5747692 ] [ 0.1451886 0.5743001 -0.2319105 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.574616876830917e-08 -2.204925256988267e-09 -2.545331555313414e-08 ] [ -4.443484847836433e-09 -1.434588028821152e-08 2.309459223408298e-08 ] [ 2.15582987054497e-08 -2.132174277284015e-08 -5.076636534849148e-09 ] [ -2.926996305229011e-09 1.363525166505548e-08 2.776016087342937e-08 ] [ 1.055689693212417e-08 4.483583964414521e-10 1.795938749150731e-09 ] [ 7.688366615752434e-10 2.286880821563681e-08 -2.174917802418287e-08 ] [ 2.326177824431724e-10 9.201302011238633e-10 -3.715615842792569e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.804845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.731127019299173e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2806827 1.3585035 1.211168 ] [ 1.8763304 0.9535413 3.7438774 ] [ 4.4253021 0.9759873 2.6866842 ] [ 3.4463465 3.0147947 4.2333038 ] [ 5.2705289 3.3370785 2.0306086 ] [ 2.6497738 3.8582993 1.6285849 ] [ 4.1623676 5.426853 3.2828241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2806827e-10 1.3585035e-10 1.211168e-10 ] [ 1.8763304e-10 9.535413e-11 3.743877400000001e-10 ] [ 4.4253021e-10 9.759873000000001e-11 2.6866842e-10 ] [ 3.4463465e-10 3.0147947e-10 4.2333038e-10 ] [ 5.270528900000001e-10 3.3370785e-10 2.0306086e-10 ] [ 2.6497738e-10 3.8582993e-10 1.6285849e-10 ] [ 4.1623676e-10 5.426853000000001e-10 3.2828241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.07e-05 3.48e-05 -2.69e-05 ] [ -2.92e-05 -2.52e-05 -1.19e-05 ] [ -1.51e-05 5.9e-06 5.48e-05 ] [ -2.37e-05 -7.34e-05 2.99e-05 ] [ 0.0001019 6.3e-06 -7.25e-05 ] [ -3.38e-05 -5.66e-05 4.42e-05 ] [ 1.07e-05 0.0001083 -1.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.71432899838e-14 5.575574686319999e-14 -4.309855145459999e-14 ] [ -4.67835577128e-14 -4.037485117679999e-14 -1.90659019446e-14 ] [ -2.41928671734e-14 9.452842140600001e-15 8.779927954319999e-14 ] [ -3.79715862258e-14 -1.175997649356e-13 4.790508135659999e-14 ] [ 1.632617990046e-13 1.00937127942e-14 -1.16157805965e-13 ] [ -5.415357022919999e-14 -9.06831974844e-14 7.08162072228e-14 ] [ 1.71432899838e-14 1.735157294622e-13 -2.81983087584e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.341596 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.739735971146786e-18 } }