{ "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" [ [ 0.0066411 1.299857 0.8298456 ] [ 0.9999642 1.240181 2.737035 ] [ 2.654666 1.132969 0.0147569 ] [ 2.745471 0.2375767 2.196855 ] [ 1.997397 2.884463 1.181944 ] [ 2.106064 2.994709 2.966195 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.6411e-13 1.299857e-10 8.298456e-11 ] [ 9.999642e-11 1.240181e-10 2.737035e-10 ] [ 2.654666e-10 1.132969e-10 1.47569e-12 ] [ 2.745471000000001e-10 2.375767e-11 2.196855e-10 ] [ 1.997397e-10 2.884463e-10 1.181944e-10 ] [ 2.106064e-10 2.994709e-10 2.966195e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 102.6617776 64.060693 -137.9619113 ] [ -16.1069354 -53.0260013 254.0540498 ] [ -66.0245719 -40.5496163 20.0587196 ] [ 39.5282563 -28.5640109 -24.7611684 ] [ -49.9738347 91.499875 -314.623828 ] [ -10.0846919 -33.4209395 203.2341384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.644822999204891e-07 1.026365446368462e-07 -2.210393488457433e-07 ] [ -2.58061553306159e-08 -8.495701957737041e-08 4.07039459009119e-07 ] [ -1.057830254965086e-07 -6.496764721827059e-08 3.213761158630273e-08 ] [ 6.333124810485032e-08 -4.576459046025636e-08 -3.967176511417174e-08 ] [ -8.006690960806378e-08 1.465989605311224e-07 -5.040829415682004e-07 ] [ -1.615745759015113e-08 -5.354624791207125e-08 3.256169850929116e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 88.217749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.413404149874026e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0450638 1.439186 0.7639478 ] [ 0.755142 0.8622316 3.3547756 ] [ 2.7552594 0.9174913 -0.2594856 ] [ 2.963449 -0.4062092 2.2067808 ] [ 2.0412774 3.589933 0.5313288 ] [ 1.9500117 3.3871231 3.3292839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50638e-12 1.439186e-10 7.639478e-11 ] [ 7.55142e-11 8.622316e-11 3.3547756e-10 ] [ 2.7552594e-10 9.174913000000001e-11 -2.594856e-11 ] [ 2.963449e-10 -4.062092e-11 2.2067808e-10 ] [ 2.0412774e-10 3.589933e-10 5.313288e-11 ] [ 1.9500117e-10 3.3871231e-10 3.3292839e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-05 -1.16e-05 -1.31e-05 ] [ 3.55e-05 -2.15e-05 -1.5e-05 ] [ -1.72e-05 5.44e-05 -5.8e-06 ] [ -1.99e-05 -9.9e-06 4.43e-05 ] [ 2.26e-05 -2.31e-05 2.6e-06 ] [ 3e-06 1.17e-05 -1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.84522388992e-14 -1.858524880128e-14 -2.098851373248e-14 ] [ 5.68772700384e-14 -3.44467973472e-14 -2.4032649312e-14 ] [ -2.755743787776e-14 8.715840817152e-14 -9.292624400640001e-15 ] [ -3.188331475392e-14 -1.586154854592e-14 7.097642430144e-14 ] [ 3.620919163008e-14 -3.701027994048e-14 4.16565921408e-15 ] [ 4.8065298624e-15 1.874546646336e-14 -2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026765566808e-18 } }