{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3165126 4.4466315 3.0706935 ] [ 7.5121983 -3.5451813 -5.1300012 ] [ -0.528885 -2.5909208 -0.7189137 ] [ -5.1760587 -7.5388979 4.3377121 ] [ 5.4142508 -0.8685011 5.6731407 ] [ 3.8698715 6.9430348 -1.3192534 ] [ -4.7748643 3.1538349 -5.9133782 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.012016881270862e-08 7.124289030612835e-09 4.919793335342525e-09 ] [ 1.203586848707351e-08 -5.680006595357351e-09 -8.219167987315944e-09 ] [ -8.47367182091808e-10 -4.151112732104433e-09 -1.151826722512825e-09 ] [ -8.29296023702844e-09 -1.207864596197822e-08 6.949780914381272e-09 ] [ 8.674586050907696e-09 -1.391492157559083e-09 9.089373396048948e-09 ] [ 6.200217642800227e-09 1.11239680339608e-08 -2.113676954390911e-09 ] [ -7.650175948952557e-09 5.053000542643106e-09 -9.474276301988388e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.1975489 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.123038091444758e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8239232 3.5586805 2.9604839 ] [ 6.0136085 1.4591636 1.3344985 ] [ 3.6172389 1.4443945 0.9310457 ] [ 3.3694393 1.7647308 3.5070238 ] [ 5.5909379 2.8395525 3.2911938 ] [ 4.9706861 4.7449142 1.9705702 ] [ 3.033571 3.8511844 0.8714711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8239232e-10 3.5586805e-10 2.9604839e-10 ] [ 6.0136085e-10 1.4591636e-10 1.3344985e-10 ] [ 3.6172389e-10 1.4443945e-10 9.310457e-11 ] [ 3.3694393e-10 1.7647308e-10 3.5070238e-10 ] [ 5.5909379e-10 2.8395525e-10 3.2911938e-10 ] [ 4.9706861e-10 4.7449142e-10 1.9705702e-10 ] [ 3.033571e-10 3.8511844e-10 8.714711e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.31e-05 6e-07 6.2e-06 ] [ -3.24e-05 7.1e-06 1.34e-05 ] [ 3e-06 -1.69e-05 -2.67e-05 ] [ 2.65e-05 8.1e-06 1.61e-05 ] [ -1.61e-05 -2.19e-05 -2.4e-06 ] [ -2.86e-05 2.3e-05 -2.1e-06 ] [ 3.44e-05 -1e-07 -4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.098851373248e-14 9.6130597248e-16 9.93349504896e-15 ] [ -5.191052251392001e-14 1.137545400768e-14 2.146916671872e-14 ] [ 4.8065298624e-15 -2.707678489152e-14 -4.277811577536e-14 ] [ 4.24576804512e-14 1.297763062848e-14 2.579504359488e-14 ] [ -2.579504359488e-14 -3.508766799552e-14 -3.84522388992e-15 ] [ -4.582225135488e-14 3.68500622784e-14 -3.36457090368e-15 ] [ 5.511487575552001e-14 -1.6021766208e-16 -7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }