{ "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" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1987486 -4.4385527 -10.4518509 ] [ 3.6007391 -1.1784242 3.8476111 ] [ -5.7408836 10.125517 3.9453263 ] [ 9.6414484 -5.620316 0.7513701 ] [ 0.2407441 -0.6985743 -1.8565608 ] [ 1.4567006 1.8103502 3.7641041 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.473801994753673e-08 -7.111345366128716e-09 -1.674571115606744e-08 ] [ 5.769020003620434e-09 -1.888043702624943e-09 6.16455255035057e-09 ] [ -9.197909486654139e-09 1.622286661091295e-08 6.321109559287367e-09 ] [ 1.544730321712957e-08 -9.004738896708173e-09 1.203827607788158e-09 ] [ 3.857145686155373e-10 -1.119239411351725e-09 -2.974538308853744e-09 ] [ 2.333891644825333e-09 2.900500765900605e-09 6.030759587277425e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.743677 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721326811082668e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5224526 0.6624096 0.527668 ] [ 1.0120714 0.5734076 3.0136701 ] [ 0.2786306 2.7515295 1.9432889 ] [ 2.908313 0.3898556 1.3408243 ] [ 2.1748731 2.5679749 0.270444 ] [ 2.6644924 2.478979 2.756446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.224526e-11 6.624096000000001e-11 5.27668e-11 ] [ 1.0120714e-10 5.734076e-11 3.0136701e-10 ] [ 2.786306e-11 2.7515295e-10 1.9432889e-10 ] [ 2.908313e-10 3.898556e-11 1.3408243e-10 ] [ 2.1748731e-10 2.5679749e-10 2.70444e-11 ] [ 2.6644924e-10 2.478979e-10 2.756446e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.71e-05 -7.2e-06 1.68e-05 ] [ 6e-07 6.9e-05 -2.94e-05 ] [ 2.8e-06 -4.83e-05 2.7e-05 ] [ 2.3e-05 4.42e-05 2.33e-05 ] [ 3.83e-05 1.05e-05 2.5e-06 ] [ -2.77e-05 -6.82e-05 -4.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.944075263168e-14 -1.153567166976e-14 2.691656722944e-14 ] [ 9.6130597248e-16 1.105501868352e-13 -4.710399265152e-14 ] [ 4.48609453824e-15 -7.738513078464e-14 4.32587687616e-14 ] [ 3.68500622784e-14 7.081620663936001e-14 3.733071526464e-14 ] [ 6.136336457664001e-14 1.68228545184e-14 4.005441552e-15 ] [ -4.438029239616e-14 -1.0926844553856e-13 -6.440750015616e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.869792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.503926944415888e-18 } }