{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7041748 -0.1147429 0.9237814 ] [ -0.4447581 -0.7322101 -1.5504537 ] [ -3.0602806 1.3387743 1.1476472 ] [ -8.3329283 3.1736778 -1.9142281 ] [ 3.0465508 -2.8641996 2.9784042 ] [ 3.5281149 -6.8469182 -8.458043 ] [ 4.5591265 6.0456187 6.8728921 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.128212401516516e-09 -1.838383917827923e-10 1.480060961809893e-09 ] [ -7.125810297314285e-10 -1.17312990373363e-09 -2.484100669772857e-09 ] [ -4.903110030407797e-09 2.144952883987885e-09 1.838733512766582e-09 ] [ -1.335082290506269e-08 5.084792373111979e-09 -3.066931508698405e-09 ] [ 4.881112465839537e-09 -4.588953636424712e-09 4.771929576532527e-09 ] [ 5.65266320827613e-09 -1.096997226457002e-08 -1.355127875232109e-08 ] [ 7.304525889569731e-09 9.68614893941129e-09 1.101158703990102e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.991838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.882610220882104e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0796677 3.0547572 1.2472819 ] [ 1.4032548 1.401104 2.7067736 ] [ 1.1868633 2.9786381 4.4120061 ] [ 1.5403642 4.7016492 2.8728041 ] [ 3.5020348 2.5010272 4.2614948 ] [ 4.2672528 3.0522725 2.0039934 ] [ 3.7711505 4.8810647 3.4732395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0796677e-10 3.0547572e-10 1.2472819e-10 ] [ 1.4032548e-10 1.401104e-10 2.7067736e-10 ] [ 1.1868633e-10 2.9786381e-10 4.4120061e-10 ] [ 1.5403642e-10 4.701649200000001e-10 2.8728041e-10 ] [ 3.5020348e-10 2.5010272e-10 4.2614948e-10 ] [ 4.2672528e-10 3.0522725e-10 2.0039934e-10 ] [ 3.7711505e-10 4.8810647e-10 3.4732395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -3.8e-06 8.9e-06 ] [ 2.31e-05 7e-06 3.52e-05 ] [ -9e-07 -1.45e-05 -2.9e-05 ] [ -5.9e-06 3.97e-05 1.4e-05 ] [ -1.88e-05 -7.5e-06 -1.8e-05 ] [ 1.87e-05 -1.66e-05 -1.51e-05 ] [ -1.63e-05 -4.2e-06 4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -6.08827115904e-15 1.425937192512e-14 ] [ 3.701027994048e-14 1.12152363456e-14 5.639661705216e-14 ] [ -1.44195895872e-15 -2.32315610016e-14 -4.64631220032e-14 ] [ -9.45284206272e-15 6.360641184576e-14 2.24304726912e-14 ] [ -3.012092047104e-14 -1.2016324656e-14 -2.88391791744e-14 ] [ 2.996070280896e-14 -2.659613190528e-14 -2.419286697408e-14 ] [ -2.611547891904e-14 -6.72914180736e-15 6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.30335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573390593551968e-18 } }