{ "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" [ [ 0.0409962 0.6822116 1.595736 ] [ 0.3790876 1.575629 0.6188876 ] [ 0.3154214 2.976467 2.437822 ] [ 1.63698 0.1180447 0.631717 ] [ 1.584423 0.2949968 2.813326 ] [ 2.305753 1.803926 1.00695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.099619999999999e-12 6.822116000000001e-11 1.595736e-10 ] [ 3.790876e-11 1.575629e-10 6.188876e-11 ] [ 3.154214e-11 2.976467e-10 2.437822e-10 ] [ 1.63698e-10 1.180447e-11 6.31717e-11 ] [ 1.584423e-10 2.949968e-11 2.813326e-10 ] [ 2.305753e-10 1.803926e-10 1.00695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -37.6202089 -51.6990692 53.4052903 ] [ -1.5141673 58.7633465 -58.4662091 ] [ 0.283644 9.8344725 5.3349167 ] [ 16.0959713 -31.4301727 -14.3557615 ] [ 3.8848444 -6.3289205 15.0504939 ] [ 18.8699165 20.8603435 -0.9687302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.027421916919209e-08 -8.283103998936135e-08 8.556470754569703e-08 ] [ -2.425963448039859e-09 9.41492599222695e-08 -9.367319332682421e-08 ] [ 4.544477854301952e-10 1.575656191740053e-08 8.547478810655488e-09 ] [ 2.578858890592778e-08 -5.035668788764641e-08 -2.300046544908074e-08 ] [ 6.224206873125804e-09 -1.014004846000185e-08 2.411354945807301e-08 ] [ 3.023293905274816e-08 3.342195465755725e-08 -1.552076878302908e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 30.755206 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.927527202108789e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7804726 0.4619121 2.0038376 ] [ -0.4661325 2.2820615 2.0157678 ] [ -1.0996692 4.3607504 1.6691382 ] [ 2.5811967 0.4542093 0.7289284 ] [ 0.2563271 -1.2786263 3.2514361 ] [ 4.2104665 1.1709681 -0.5646695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.804726e-11 4.619121e-11 2.0038376e-10 ] [ -4.661325e-11 2.2820615e-10 2.0157678e-10 ] [ -1.0996692e-10 4.3607504e-10 1.6691382e-10 ] [ 2.5811967e-10 4.542093e-11 7.289284e-11 ] [ 2.563271e-11 -1.2786263e-10 3.2514361e-10 ] [ 4.2104665e-10 1.1709681e-10 -5.646695000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0273475 0.0105476 -0.0131349 ] [ -0.0115326 0.0354094 -0.0036942 ] [ -0.0144002 -0.0187598 0.0123007 ] [ -0.0175932 -0.0036387 0.0166521 ] [ -0.0018468 -0.0089082 -0.0021825 ] [ 0.0180253 -0.0146504 -0.0099412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.3815525137328e-11 1.689911812555008e-11 -2.104442969654592e-11 ] [ -1.847726209703808e-11 5.673211283655552e-11 -5.91876087255936e-12 ] [ -2.307166377484416e-11 -3.005651297088384e-11 1.970789395947456e-11 ] [ -2.818741372505856e-11 -5.829840070104961e-12 2.667960530722368e-11 ] [ -2.95889978329344e-12 -1.427250977341056e-11 -3.496750474896e-12 ] [ 2.887971424290624e-11 -2.347252836536832e-11 -1.592755822269696e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.031506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.087877424701493e-18 } }