{ "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" [ [ 2.579635 2.597673 1.417691 ] [ 1.984364 4.733105 2.421677 ] [ 4.865502 3.038852 1.5778 ] [ 3.649468 2.375686 3.336275 ] [ 3.826511 5.11075 1.269058 ] [ 4.176974 4.617806 3.508105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.579635e-10 2.597673e-10 1.417691e-10 ] [ 1.984364e-10 4.733105e-10 2.421677e-10 ] [ 4.865502e-10 3.038852e-10 1.5778e-10 ] [ 3.649468e-10 2.375686e-10 3.336275e-10 ] [ 3.826511e-10 5.11075e-10 1.269058e-10 ] [ 4.176974000000001e-10 4.617806e-10 3.508105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.9275517 -3.0001385 -11.9989452 ] [ -17.3100145 0.4119965 2.0782914 ] [ 17.4225406 -0.5858445 -10.8444979 ] [ 0.5288636 -8.340488 19.5369858 ] [ 7.9036769 7.14577 -10.9740054 ] [ 7.3824852 4.3687045 12.2021713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.55187509603233e-08 -4.806751763861981e-09 -1.922442947370038e-08 ] [ -2.7733700537609e-08 6.600911601514272e-10 3.329789892289701e-09 ] [ 2.791398722425881e-08 -9.386263613242657e-10 -1.73748009996947e-08 ] [ 8.473328955121229e-10 -1.336293487966295e-08 3.130170188966159e-08 ] [ 1.266308634753702e-08 1.144878563161402e-08 -1.758229488841295e-08 ] [ 1.182804519084201e-08 6.999436213083754e-09 1.955003357985674e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.720233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.557353006132865e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2952089 2.3729105 1.5981445 ] [ 1.8866177 4.8144984 2.1510001 ] [ 4.8300781 3.1004697 1.3621434 ] [ 3.8553117 2.0005044 3.664742 ] [ 4.1550776 5.5957434 1.1083271 ] [ 4.0601599 4.5897456 3.6462489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2952089e-10 2.3729105e-10 1.5981445e-10 ] [ 1.8866177e-10 4.8144984e-10 2.1510001e-10 ] [ 4.8300781e-10 3.1004697e-10 1.3621434e-10 ] [ 3.8553117e-10 2.0005044e-10 3.664742e-10 ] [ 4.1550776e-10 5.595743400000001e-10 1.1083271e-10 ] [ 4.0601599e-10 4.5897456e-10 3.6462489e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.5e-05 -3.12e-05 -6e-07 ] [ -3.04e-05 2.9e-05 -3.1e-06 ] [ 6.1e-06 -1.86e-05 2.7e-06 ] [ -1.24e-05 5.5e-06 1.11e-05 ] [ -2.4e-06 4.2e-05 -1.11e-05 ] [ 2.41e-05 -2.66e-05 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.4032649312e-14 -4.998791056896e-14 -9.6130597248e-16 ] [ -4.870616927232e-14 4.64631220032e-14 -4.96674752448e-15 ] [ 9.77327738688e-15 -2.980048514688e-14 4.32587687616e-15 ] [ -1.986699009792e-14 8.8119714144e-15 1.778416049088e-14 ] [ -3.84522388992e-15 6.72914180736e-14 -1.778416049088e-14 ] [ 3.861245656128e-14 -4.261789811328e-14 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.865808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182853313090161e-18 } }