{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9561271 0.2009027 2.827783 ] [ 0.6408175 2.004915 2.928704 ] [ 2.494403 2.793601 0.1007886 ] [ 2.213716 1.735143 2.110523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.561271000000001e-11 2.009027e-11 2.827783e-10 ] [ 6.408175e-11 2.004915e-10 2.928704e-10 ] [ 2.494403e-10 2.793601e-10 1.007886e-11 ] [ 2.213716e-10 1.735143e-10 2.110523e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.826257 -70.2224052 -0.5347863 ] [ -77.7014673 75.671388 37.3196394 ] [ -0.3096656 1.7249423 -2.6546077 ] [ 72.184876 -7.1739252 -34.1302454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.334692752172346e-09 -1.125086958677844e-07 -8.568221069841351e-10 ] [ -1.244914743099157e-07 1.212389287170857e-07 5.979265374336654e-08 ] [ -4.961389845860044e-10 2.76366222528898e-09 -4.253150394335661e-09 ] [ 1.15652920702547e-07 -1.149389523480796e-08 -5.468268124204675e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.187802 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.394660101053949e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9447236 -0.0838075 2.5436744 ] [ 0.2762602 2.3276986 3.3042942 ] [ 2.4767514 2.5985767 -0.117341 ] [ 2.6073284 1.8920938 2.237171 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.447236e-11 -8.38075e-12 2.5436744e-10 ] [ 2.762602e-11 2.3276986e-10 3.3042942e-10 ] [ 2.4767514e-10 2.5985767e-10 -1.17341e-11 ] [ 2.6073284e-10 1.8920938e-10 2.237171e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.9e-06 -2.38e-05 -1.34e-05 ] [ -5.5e-06 2.68e-05 1.01e-05 ] [ 2.5e-06 -2.11e-05 5.68e-05 ] [ -7e-06 1.81e-05 -5.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.586154854592e-14 -3.813180357504e-14 -2.146916671872e-14 ] [ -8.8119714144e-15 4.293833343744e-14 1.618198387008e-14 ] [ 4.005441552e-15 -3.380592669888e-14 9.100363206143999e-14 ] [ -1.12152363456e-14 2.899939683648e-14 -8.57164492128e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.539873 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.848891472760116e-18 } }