{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8529938 2.0293335 4.0196426 ] [ 5.4135808 -2.382367 -0.670946 ] [ 2.3261823 2.5342281 1.0275111 ] [ -1.3017477 -0.812713 -2.1990357 ] [ -0.1233781 -0.5026936 -0.3866271 ] [ -0.1108607 1.9124599 -0.1484003 ] [ -4.3507828 -2.778248 -1.6421447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.968823344847351e-09 3.251350689506237e-09 6.440177397691726e-09 ] [ 8.673512592571762e-09 -3.816972709565434e-09 -1.074973995019277e-09 ] [ 3.726954896778772e-09 4.060281013594405e-09 1.646254262032491e-09 ] [ -2.085629731120172e-09 -1.30210976802023e-09 -3.523243586844563e-09 ] [ -1.976735073387245e-10 -8.054039333457869e-10 -6.194449005877037e-10 ] [ -1.776184217055225e-10 3.064098539997506e-09 -2.377634911797063e-10 ] [ -6.970722484338763e-09 -4.451243992384359e-09 -2.63100584631063e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.408957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.789222389791251e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5646041 1.8691734 1.1970473 ] [ 2.6078178 4.2582182 1.4003624 ] [ 4.7430075 2.96785 1.6567599 ] [ 4.0016687 0.9132398 2.9259896 ] [ 5.9368113 0.6184293 4.3446976 ] [ 5.0229642 2.8493256 4.164658 ] [ 4.1537104 4.8816677 3.1243778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5646041e-10 1.8691734e-10 1.1970473e-10 ] [ 2.6078178e-10 4.2582182e-10 1.4003624e-10 ] [ 4.7430075e-10 2.96785e-10 1.6567599e-10 ] [ 4.0016687e-10 9.132398000000001e-11 2.9259896e-10 ] [ 5.936811299999999e-10 6.184293e-11 4.3446976e-10 ] [ 5.0229642e-10 2.8493256e-10 4.164658e-10 ] [ 4.1537104e-10 4.881667700000001e-10 3.1243778e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.4e-06 5.28e-05 4.27e-05 ] [ 2.44e-05 -5e-05 -5.68e-05 ] [ 1.26e-05 1.66e-05 7e-07 ] [ -2.66e-05 -1.65e-05 1.39e-05 ] [ 2.16e-05 1.51e-05 -2.92e-05 ] [ -1.53e-05 -9.2e-06 1.2e-06 ] [ -1.03e-05 -8.9e-06 2.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.025393037312e-14 8.459492557824e-14 6.841294170816001e-14 ] [ 3.909310954752e-14 -8.010883104e-14 -9.100363206143999e-14 ] [ 2.018742542208e-14 2.659613190528e-14 1.12152363456e-15 ] [ -4.261789811328e-14 -2.64359142432e-14 2.227025502912e-14 ] [ 3.460701500928e-14 2.419286697408e-14 -4.678355732736e-14 ] [ -2.451330229824e-14 -1.474002491136e-14 1.92261194496e-15 ] [ -1.650241919424e-14 -1.425937192512e-14 4.4059857072e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.3713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.263842059530305e-18 } }