{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0250257 0.0245004 -6.8247376 ] [ -1.4446703 -0.902773 6.0163444 ] [ -4.154341 4.3508144 -2.9693241 ] [ 0.3577285 -3.3352175 -2.5067847 ] [ 3.5125653 0.8072227 -2.9184105 ] [ 2.437397 -1.6121598 4.1726241 ] [ 2.3163462 0.667613 5.0302883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.846625493789493e-09 3.92539684036536e-11 -1.093443511590124e-08 ] [ -2.31461699849377e-09 -1.446401806406082e-09 9.639246419776749e-09 ] [ -6.655988079868193e-09 6.970773170550729e-09 -4.75738169179308e-09 ] [ 5.731442440158689e-10 -5.343607547807895e-09 -4.016311872808699e-09 ] [ 5.627750049059199e-09 1.293313348374392e-09 -4.675809111520256e-09 ] [ 3.905140521181698e-09 -2.582964761834113e-09 6.685280835485279e-09 ] [ 3.71119575789469e-09 1.069633949154642e-09 8.059410376543581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.679022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.031403279037195e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5198221 1.5411264 1.5812758 ] [ 1.8463389 1.9455348 4.0655307 ] [ 2.5462416 3.7556246 2.2321495 ] [ 3.3398432 0.0184491 1.6821623 ] [ 5.063365 3.344035 2.4074172 ] [ 4.3136878 1.1754799 3.5415783 ] [ 3.7567864 3.5855665 4.6237583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5198221e-10 1.5411264e-10 1.5812758e-10 ] [ 1.8463389e-10 1.9455348e-10 4.0655307e-10 ] [ 2.5462416e-10 3.7556246e-10 2.2321495e-10 ] [ 3.3398432e-10 1.84491e-12 1.6821623e-10 ] [ 5.063365000000001e-10 3.344035e-10 2.4074172e-10 ] [ 4.3136878e-10 1.1754799e-10 3.5415783e-10 ] [ 3.7567864e-10 3.5855665e-10 4.6237583e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0011006 -0.0011139 -0.0006441 ] [ -0.0014659 -0.0006804 0.0006023 ] [ 0.0004999 0.0007131 0.0006068 ] [ -0.0004467 0.001596 0.0002774 ] [ -0.0003503 -0.000521 -0.0011497 ] [ 0.0009932 -0.0036965 -0.0011631 ] [ -0.0003307 0.0037028 0.0014704 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.7633556033804e-12 -1.7846645526126e-12 -1.0319619699594e-12 ] [ -2.3486307277806e-12 -1.0901209817736e-12 9.649909866581998e-13 ] [ 8.009280993365999e-13 1.1425121577054e-12 9.722007815112e-13 ] [ -7.156923024077999e-13 2.557073907864e-12 4.444437982715999e-13 ] [ -5.612424748901999e-13 -8.34734026314e-13 -1.8420224761098e-12 ] [ 1.5912818328888e-12 -5.922445927581e-12 -1.8634916430054e-12 ] [ -5.298398128638e-13 5.932539640375199e-12 2.3558405226336e-12 ] ] } "relaxed-potential-energy" { "source-value" -16.78501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.689255082345634e-18 } }