{ "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" [ [ 0.2100786 2.6915 2.714596 ] [ 1.703066 0.0721581 0.1101228 ] [ 2.026091 1.413329 2.796162 ] [ 1.827772 0.0799437 1.500255 ] [ 2.628484 2.60871 0.5510999 ] [ 1.843839 2.957574 1.991142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.100786e-11 2.6915e-10 2.714596e-10 ] [ 1.703066e-10 7.215810000000001e-12 1.101228e-11 ] [ 2.026091e-10 1.413329e-10 2.796162e-10 ] [ 1.827772e-10 7.99437e-12 1.500255e-10 ] [ 2.628484e-10 2.60871e-10 5.510999e-11 ] [ 1.843839e-10 2.957574e-10 1.991142e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -159.1144575 -27.1827245 69.8551481 ] [ -598.7720571 -33.2754238 -6684.0289976 ] [ 41.0742151 -177.2131187 197.7369369 ] [ 589.186674 -30.7900758 6615.2668668 ] [ 248.214326 -118.1835044 -457.4840178 ] [ -120.5887005 386.6448472 258.6540636 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.549294638377752e-07 -4.355152568354737e-08 1.119202851283415e-07 ] [ -9.593385910739426e-07 -5.33131060595719e-08 -1.070899499270398e-05 ] [ 6.580814715093035e-08 -2.839267156801953e-07 3.168094973697848e-07 ] [ 9.439811143697113e-07 -4.933113959941985e-08 1.059882591433983e-05 ] [ 3.976831900648296e-07 -1.893508477138939e-07 -7.329701977088112e-07 ] [ -1.932043966737533e-07 6.194733347366283e-07 4.144094935748362e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 826.94376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.324909958988446e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.5565408 1.8006182 1.7460736 ] [ 1.1175441 0.7532095 -0.1156285 ] [ 2.2648171 1.747545 3.1564416 ] [ 1.8631583 0.0133707 1.839089 ] [ 2.6573787 1.8955053 0.9806318 ] [ 1.7798917 3.612966 2.0567703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.565408e-11 1.8006182e-10 1.7460736e-10 ] [ 1.1175441e-10 7.532095e-11 -1.156285e-11 ] [ 2.2648171e-10 1.747545e-10 3.1564416e-10 ] [ 1.8631583e-10 1.33707e-12 1.839089e-10 ] [ 2.6573787e-10 1.8955053e-10 9.806318000000001e-11 ] [ 1.7798917e-10 3.612966e-10 2.0567703e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001672 2.99e-05 -6.9e-06 ] [ -4.02e-05 -7.25e-05 3.5e-06 ] [ -9.39e-05 5.39e-05 2.63e-05 ] [ 3.17e-05 9.18e-05 -7.63e-05 ] [ -0.000104 7.3e-06 2.82e-05 ] [ 3.92e-05 -0.0001104 2.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.6788393099776e-13 4.790508096192e-14 -1.105501868352e-14 ] [ -6.440750015616e-14 -1.16157805008e-13 5.6076181728e-15 ] [ -1.5044438469312e-13 8.635731986112e-14 4.213724512704e-14 ] [ 5.078899887936e-14 1.4707981378944e-13 -1.2224607616704e-13 ] [ -1.666263685632e-13 1.169588933184e-14 4.518138070656001e-14 ] [ 6.280532353535999e-14 -1.7688029893632e-13 4.037485084416e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }