{ "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" [ [ -125.5889752 -100.4385574 -97.5790512 ] [ -21.5519076 155.6771784 84.1292524 ] [ 278.3787797 -94.7160606 -6.6462734 ] [ -19.8889231 -27.1710993 -15.3552146 ] [ 21.0236827 -38.8047568 6.8128507 ] [ 4.4944943 57.7873273 35.8145956 ] [ -136.8671509 47.6659684 -7.1761594 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.01215719895671e-07 -1.609203084931588e-07 -1.563388745124862e-07 ] [ -3.452996249036184e-08 2.494223356245908e-07 1.347899213206623e-07 ] [ 4.460119725621737e-07 -1.51751857907596e-07 -1.064850385692493e-08 ] [ -3.186556760370906e-08 -4.353290005989525e-08 -2.460176583948683e-08 ] [ 3.368365290505742e-08 -6.217207412078982e-08 1.091539011254091e-08 ] [ 7.200973689778863e-09 9.258550477857759e-08 5.738130775372654e-08 ] [ -2.192853493274857e-07 7.636930017827159e-08 -1.149747481781416e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 106.41859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.705013769165007e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.7720543 1.9106581 0.8255326 ] [ 2.0725816 4.5262043 1.4697776 ] [ 5.3598003 2.5546894 1.7334558 ] [ 3.3351402 0.7777966 3.3267071 ] [ 6.5187237 0.6452248 3.8923342 ] [ 4.5180702 2.9456619 4.7343878 ] [ 4.4542138 4.9976688 2.8316976 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7720543e-10 1.9106581e-10 8.255326e-11 ] [ 2.0725816e-10 4.5262043e-10 1.4697776e-10 ] [ 5.3598003e-10 2.5546894e-10 1.7334558e-10 ] [ 3.3351402e-10 7.777966e-11 3.3267071e-10 ] [ 6.5187237e-10 6.452248000000001e-11 3.8923342e-10 ] [ 4.518070200000001e-10 2.9456619e-10 4.7343878e-10 ] [ 4.4542138e-10 4.9976688e-10 2.8316976e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.86e-05 -5.3e-06 -1.93e-05 ] [ 2.16e-05 -1.61e-05 4.9e-06 ] [ -8.4e-06 1.5e-05 7.7e-06 ] [ 1.79e-05 7.9e-06 -1.46e-05 ] [ -6.7e-06 6.5e-06 1.51e-05 ] [ 8.7e-06 -3.5e-06 7e-06 ] [ 5.4e-06 -4.5e-06 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.184401756288e-14 -8.491536090240001e-15 -3.092200878144e-14 ] [ 3.460701500928e-14 -2.579504359488e-14 7.850665441919999e-15 ] [ -1.345828361472e-14 2.4032649312e-14 1.233675998016e-14 ] [ 2.867896151232001e-14 1.265719530432e-14 -2.339177866368e-14 ] [ -1.073458335936e-14 1.04141480352e-14 2.419286697408e-14 ] [ 1.393893660096e-14 -5.6076181728e-15 1.12152363456e-14 ] [ 8.65175375232e-15 -7.2097947936e-15 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.28791 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.930046184529453e-18 } }