{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4424401 0.7692354 -2.7809867 ] [ -0.1511512 -0.6388614 2.4430732 ] [ -2.2254949 1.8098538 -1.559804 ] [ -0.4081364 1.5325887 0.0956645 ] [ 0.6211593 -0.3789063 -1.3119214 ] [ 2.3357499 -1.5416932 3.0210098 ] [ 0.2703135 -1.5522171 0.0929645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.088671843244141e-10 1.232450973771736e-09 -4.455631873495744e-09 ] [ -2.42170918845865e-10 -1.023568799011557e-09 3.914234763943043e-09 ] [ -3.565635898489634e-09 2.899705445426039e-09 -2.499081501830323e-09 ] [ -6.539065981774771e-10 2.455477784442265e-09 1.532714253405216e-10 ] [ 9.952069082524933e-10 -6.07074815333831e-10 -2.101929795407205e-09 ] [ 3.742283881815938e-09 -2.470064801486339e-09 4.840191272767684e-09 ] [ 4.330899699866208e-10 -2.486925948025976e-09 1.489455484643616e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -30.935813 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.956463633404071e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0647872 2.0664522 1.3320509 ] [ 1.904789 1.6506379 3.8706586 ] [ 2.3121177 3.8828871 2.6482706 ] [ 3.3835463 0.4278331 2.1498774 ] [ 4.4912358 2.7395956 1.8818754 ] [ 4.4458958 1.2315351 3.9715571 ] [ 3.7837133 3.3668753 4.2795821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0647872e-10 2.0664522e-10 1.3320509e-10 ] [ 1.904789e-10 1.6506379e-10 3.8706586e-10 ] [ 2.3121177e-10 3.8828871e-10 2.6482706e-10 ] [ 3.3835463e-10 4.278331e-11 2.1498774e-10 ] [ 4.4912358e-10 2.7395956e-10 1.8818754e-10 ] [ 4.4458958e-10 1.2315351e-10 3.9715571e-10 ] [ 3.7837133e-10 3.3668753e-10 4.2795821e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.24e-05 9.9e-06 1.74e-05 ] [ 1.66e-05 1.58e-05 -1.09e-05 ] [ 9.4e-06 -3.72e-05 6.4e-06 ] [ 3.1e-06 2.12e-05 8.5e-06 ] [ -2.66e-05 -2.01e-05 2.49e-05 ] [ -2.32e-05 2.86e-05 -2.85e-05 ] [ -1.6e-06 -1.81e-05 -1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.588875630592e-14 1.586154854592e-14 2.787787320192e-14 ] [ 2.659613190528e-14 2.531439060864e-14 -1.746372516672e-14 ] [ 1.506046023552e-14 -5.960097029376001e-14 1.025393037312e-14 ] [ 4.96674752448e-15 3.396614436096001e-14 1.36185012768e-14 ] [ -4.261789811328e-14 -3.220375007808e-14 3.989419785791999e-14 ] [ -3.717049760256e-14 4.582225135488e-14 -4.56620336928e-14 ] [ -2.56348259328e-15 -2.899939683648e-14 -2.867896151232001e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.399964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.191046483556165e-18 } }