{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8005408 -2.8457795 -5.001657 ] [ 3.0357012 1.3030034 -0.3987433 ] [ -0.8358769 -1.3101661 1.3547652 ] [ -3.4909857 -4.9832285 -4.6170632 ] [ 1.354478 5.8498184 4.828004 ] [ -0.4595386 -0.7344912 0.3616443 ] [ 5.1967627 2.7208436 3.4730501 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.691314236956529e-09 -4.559441382851913e-09 -8.013537910660665e-09 ] [ 4.863729490374506e-09 2.08764158430291e-09 -6.388571929606407e-10 ] [ -1.33922242704678e-09 -2.099117494784715e-09 2.170573130113436e-09 ] [ -5.593175672087123e-09 -7.984012198804252e-09 -7.397350715796035e-09 ] [ 2.170112984987943e-09 9.372442276405664e-09 7.735315133928883e-09 ] [ -7.362620012751629e-10 -1.176784628823337e-09 5.794180425055815e-10 ] [ 8.326131701785484e-09 4.359272004773306e-09 5.564439673087102e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.946092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.875280903712592e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6503484 2.4542554 1.4083726 ] [ 2.0716949 0.6943018 3.0571723 ] [ 2.6511901 2.894819 3.8514338 ] [ 4.2513106 0.7319718 2.0761496 ] [ 4.9738505 2.1354105 3.8242316 ] [ 3.7316113 4.5274298 1.1071951 ] [ 4.4707882 4.4008235 3.3106039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6503484e-10 2.4542554e-10 1.4083726e-10 ] [ 2.0716949e-10 6.943018e-11 3.0571723e-10 ] [ 2.6511901e-10 2.894819e-10 3.8514338e-10 ] [ 4.2513106e-10 7.319718e-11 2.0761496e-10 ] [ 4.9738505e-10 2.1354105e-10 3.8242316e-10 ] [ 3.7316113e-10 4.5274298e-10 1.1071951e-10 ] [ 4.4707882e-10 4.400823500000001e-10 3.3106039e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.7e-06 1.96e-05 1.8e-06 ] [ 2.7e-05 -1.25e-05 2.52e-05 ] [ -3.51e-05 1.59e-05 6e-06 ] [ 1.12e-05 -3.53e-05 -1e-05 ] [ -2.33e-05 8.7e-06 -9.6e-06 ] [ 1.7e-06 3.26e-05 -1.47e-05 ] [ 1.27e-05 -2.89e-05 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.13240673856e-15 3.140266176767999e-14 2.88391791744e-15 ] [ 4.32587687616e-14 -2.002720776e-14 4.037485084416e-14 ] [ -5.623639939008e-14 2.547460827072e-14 9.6130597248e-15 ] [ 1.794437815296e-14 -5.655683471424e-14 -1.6021766208e-14 ] [ -3.733071526464e-14 1.393893660096e-14 -1.538089555968e-14 ] [ 2.72370025536e-15 5.223095783807999e-14 -2.355199632576e-14 ] [ 2.034764308416e-14 -4.630290434112001e-14 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.612373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.462683874060916e-18 } }