{ "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" [ [ -3.1814664 -0.6866389 -3.8096237 ] [ -1.2751012 -7.1701478 -3.0540329 ] [ -11.4409394 0.9456208 5.2510069 ] [ -13.5732813 13.5262997 -4.6300841 ] [ 9.8243461 -7.7648941 11.3677083 ] [ 11.3947735 -10.1686092 -15.9893725 ] [ 8.2516687 11.3183695 10.864398 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.097271085940741e-09 -1.100116792511829e-09 -6.103690026185593e-09 ] [ -2.042937331794025e-09 -1.148784317284055e-08 -4.893100111534025e-09 ] [ -1.833040562666958e-08 1.515051537902193e-09 8.413040490839485e-09 ] [ -2.174679396640183e-08 2.167152114527405e-08 -7.418212497357809e-09 ] [ 1.574033763606766e-08 -1.244073179000786e-08 1.821307647033411e-08 ] [ 1.825643970101139e-08 -1.629190792629179e-08 -2.561779880076245e-08 ] [ 1.322063067372713e-08 1.813402699847579e-08 1.740668447466628e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.875582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.703766294279331e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5656298 2.7297724 0.9187424 ] [ 1.6105261 1.081746 2.647509 ] [ 1.1166299 3.0699021 4.2362919 ] [ 1.8079521 4.9776726 2.8359702 ] [ 3.5283802 2.5235219 4.5761602 ] [ 4.1128771 3.2418922 1.909805 ] [ 4.0085928 4.9460058 3.8531145 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5656298e-10 2.7297724e-10 9.187424e-11 ] [ 1.6105261e-10 1.081746e-10 2.647509e-10 ] [ 1.1166299e-10 3.0699021e-10 4.2362919e-10 ] [ 1.8079521e-10 4.9776726e-10 2.8359702e-10 ] [ 3.5283802e-10 2.5235219e-10 4.576160200000001e-10 ] [ 4.112877100000001e-10 3.2418922e-10 1.909805e-10 ] [ 4.0085928e-10 4.9460058e-10 3.8531145e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.7475811 -1.0392653 0.5561015 ] [ 0.5779591 -1.5028095 -2.5042951 ] [ 0.2591181 2.5916343 0.7187235 ] [ 0.2049944 -0.5795811 1.6619897 ] [ -0.9876487 1.3357497 0.8980253 ] [ 1.1913824 0.2328439 -1.1640688 ] [ -0.4982242 -1.038572 -0.1664761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.197756960571947e-09 -1.665086566468698e-09 8.909728220918113e-10 ] [ 9.259925577986092e-10 -2.407766246416138e-09 -4.012323060803999e-09 ] [ 4.151529618461165e-10 4.152255885123374e-09 1.151521988519549e-09 ] [ 3.284372350749235e-10 -9.285912882775468e-10 2.662801041350406e-09 ] [ -1.582387656703513e-09 2.140106940580614e-09 1.438795140546906e-09 ] [ 1.908805027712594e-09 3.730570528758931e-10 -1.865043816362711e-09 ] [ -7.982431651567835e-10 -1.663975777417498e-09 -2.667241153419628e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.385419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.984362876061212e-18 } }