{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5098055 1.6066495 -4.1112537 ] [ 0.8260575 0.9786603 3.9597107 ] [ -1.2655274 -3.0714497 -1.6128899 ] [ -2.1449429 1.1514573 -2.3591706 ] [ 5.4316259 -0.6745377 -1.8950258 ] [ 0.7170005 -2.7520724 4.3507546 ] [ 1.9455919 2.7612926 1.6678747 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.827681629984686e-09 2.574136287927783e-09 -6.586954614586046e-09 ] [ 1.323490024840455e-09 1.56798666528343e-09 6.344155960939783e-09 ] [ -2.027598429966771e-09 -4.921004941846309e-09 -2.584134510994596e-09 ] [ -3.436577395644199e-09 1.844837981108728e-09 -3.77980801093976e-09 ] [ 8.702424101609219e-09 -1.080728541692102e-09 -3.036166057587157e-09 ] [ 1.148761447666317e-09 -4.4093060943563e-09 6.970677360388016e-09 ] [ 3.117181881479664e-09 4.424078483357108e-09 2.672229872779759e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.616363 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.463323171066214e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.439978 2.7267564 1.5872913 ] [ 1.1996938 2.0715648 3.733295 ] [ 3.4096823 3.1784397 4.4142375 ] [ 1.5039452 4.4383643 3.2507654 ] [ 4.8691763 2.578852 2.3935229 ] [ 3.2795238 0.9223289 3.203495 ] [ 3.7718136 4.751883 2.4227528 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.439978e-10 2.726756400000001e-10 1.5872913e-10 ] [ 1.1996938e-10 2.0715648e-10 3.733295e-10 ] [ 3.4096823e-10 3.1784397e-10 4.4142375e-10 ] [ 1.5039452e-10 4.4383643e-10 3.2507654e-10 ] [ 4.869176300000001e-10 2.578852e-10 2.3935229e-10 ] [ 3.2795238e-10 9.223289e-11 3.203495e-10 ] [ 3.7718136e-10 4.751883000000001e-10 2.4227528e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.27e-05 9.7e-06 -3.71e-05 ] [ -2.64e-05 2.92e-05 -1.42e-05 ] [ 1.62e-05 3.78e-05 0.0001459 ] [ -2.37e-05 -2.27e-05 7.8e-06 ] [ 7.94e-05 -2.5e-06 -1.01e-05 ] [ -4.8e-06 -0.0001179 -2.39e-05 ] [ 1.2e-05 6.63e-05 -6.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.44347086118e-14 1.55411133498e-14 -5.94407531214e-14 ] [ -4.22974631376e-14 4.67835577128e-14 -2.27509082028e-14 ] [ 2.59552614708e-14 6.056227676519999e-14 2.337575709006e-13 ] [ -3.79715862258e-14 -3.636940959179999e-14 1.24969777452e-14 ] [ 1.272128247396e-13 -4.005441585e-15 -1.61819840034e-14 ] [ -7.690447843199998e-15 -1.888966251486e-13 -3.82920215526e-14 ] [ 1.9226119608e-14 1.062243108342e-13 -1.095888817656e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }